benzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate

C18H28N2O3 — CID 70047039

IUPACbenzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate
SMILESCC[C@H](C)[C@H](NCC(C)C)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-5-14(4)16(19-11-13(2)3)17(21)20-18(22)23-12-15-9-7-6-8-10-15/h6-10,13-14,16,19H,5,11-12H2,1-4H3,(H,20,21,22)/t14-,16-/m0/s1
InChIKeyLWUXMHKNMZWICO-HOCLYGCPSA-N
MW320.43 g/mol
LogP3.10
Rot. Bonds8

About benzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate

benzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate (PubChem CID 70047039) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is benzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate
PubChem CID70047039
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Namebenzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate
SMILESCC[C@H](C)[C@H](NCC(C)C)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-5-14(4)16(19-11-13(2)3)17(21)20-18(22)23-12-15-9-7-6-8-10-15/h6-10,13-14,16,19H,5,11-12H2,1-4H3,(H,20,21,22)/t14-,16-/m0/s1
InChIKeyLWUXMHKNMZWICO-HOCLYGCPSA-N
XLogP3.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-aminopropanoyl)carbamate
CID 54205140
benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate
CID 150888209
benzyl (2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
CID 92643304
(2R,3S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid
CID 122408174
benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate
CID 67860655
benzyl N-(2-amino-3-hydroxybutanoyl)carbamate
CID 19774489
benzyl N-[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 4681743
benzyl 3,4-dimethylhexanoate
CID 123356915
benzyl N-[(2S)-2-[7-[[(2S)-1-oxo-1-(phenylmethoxycarbonylamino)propan-2-yl]amino]heptylamino]propanoyl]carbamate
CID 123365033
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
bis(benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate);hydrate
CID 70485700
(2S,3S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate
CID 7010536

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate?
The IUPAC name of benzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate (CID 70047039) is benzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate.
What is the SMILES notation for benzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate?
The canonical SMILES for benzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate is CC[C@H](C)[C@H](NCC(C)C)C(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate?
The InChIKey is LWUXMHKNMZWICO-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-14(4)16(19-11-13(2)3)17(21)20-18(22)23-12-15-9-7-6-8-10-15/h6-10,13-14,16,19H,5,11-12H2,1-4H3,(H,20,21,22)/t14-,16-/m0/s1.
What are the key properties of benzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate?
benzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate is sourced from PubChem (CID 70047039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).