benzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate

C19H29N5O5 — CID 44549134

IUPACbenzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)NNCC(N)=O
InChIInChI=1S/C19H29N5O5/c1-4-12(2)16(18(27)24-21-10-15(20)25)23-17(26)13(3)22-19(28)29-11-14-8-6-5-7-9-14/h5-9,12-13,16,21H,4,10-11H2,1-3H3,(H2,20,25)(H,22,28)(H,23,26)(H,24,27)/t12-,13-,16-/m0/s1
InChIKeyFRTZYWFWRVGJTE-XEZPLFJOSA-N
MW407.47 g/mol
LogP-0.06
Rot. Bonds11

About benzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate

benzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 44549134) has the molecular formula C19H29N5O5 and a molecular weight of 407.47 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID44549134
Molecular FormulaC19H29N5O5
Molecular Weight407.47 g/mol
Exact Mass407.22
IUPAC Namebenzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)NNCC(N)=O
InChIInChI=1S/C19H29N5O5/c1-4-12(2)16(18(27)24-21-10-15(20)25)23-17(26)13(3)22-19(28)29-11-14-8-6-5-7-9-14/h5-9,12-13,16,21H,4,10-11H2,1-3H3,(H2,20,25)(H,22,28)(H,23,26)(H,24,27)/t12-,13-,16-/m0/s1
InChIKeyFRTZYWFWRVGJTE-XEZPLFJOSA-N
XLogP-0.06
TPSA151.65 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 5-0.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

(2R,3S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid
CID 122408174
(2S,3S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate
CID 7010536
ethyl 2-[2-[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]hydrazinyl]acetate
CID 10992887
ethyl (2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
CID 15384115
(2R,3R)-3-hydroxy-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid
CID 124542605
methyl (2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate
CID 45049910
benzyl (2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]butanoate
CID 11827004
benzyl N-[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 4681743
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336
benzyl N-[3-methyl-1-[12-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]dodecylamino]-1-oxopentan-2-yl]carbamate;benzyl N-[3-methyl-1-[7-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]heptylamino]-1-oxopentan-2-yl]carbamate
CID 122444345
benzyl N-[(2S,3S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 90900664
[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid
CID 68685259

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate (CID 44549134) is benzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate is CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)NNCC(N)=O.
What is the InChIKey of benzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is FRTZYWFWRVGJTE-XEZPLFJOSA-N. The full InChI is InChI=1S/C19H29N5O5/c1-4-12(2)16(18(27)24-21-10-15(20)25)23-17(26)13(3)22-19(28)29-11-14-8-6-5-7-9-14/h5-9,12-13,16,21H,4,10-11H2,1-3H3,(H2,20,25)(H,22,28)(H,23,26)(H,24,27)/t12-,13-,16-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate?
benzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 407.47 g/mol, XLogP of -0.06, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 44549134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).