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

C13H18N4O4 — CID 5479014

IUPACbenzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
SMILESC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)NN
InChIInChI=1S/C13H18N4O4/c1-9(12(19)17-14)16-11(18)7-15-13(20)21-8-10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3,(H,15,20)(H,16,18)(H,17,19)/t9-/m0/s1
InChIKeyRUFWMZPCICASLB-VIFPVBQESA-N
MW294.31 g/mol
LogP-0.59
Rot. Bonds6

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

benzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate (PubChem CID 5479014) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is benzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
PubChem CID5479014
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Namebenzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
SMILESC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)NN
InChIInChI=1S/C13H18N4O4/c1-9(12(19)17-14)16-11(18)7-15-13(20)21-8-10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3,(H,15,20)(H,16,18)(H,17,19)/t9-/m0/s1
InChIKeyRUFWMZPCICASLB-VIFPVBQESA-N
XLogP-0.59
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[2-[[(2S)-1-[[(2S)-1-[[(1R)-1-dimethoxyphosphorylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 54047894
benzyl N-[(2S)-1-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 14237530
[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino] 1-hydroxy-4-methylpentane-1-sulfonate
CID 90019329
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate
CID 14333276
1-hydroxy-3-phenyl-1-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
CID 156623877
benzyl N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]carbamate
CID 14404662
benzyl N-[2-[[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-2-oxoethyl]carbamate
CID 167053629
benzyl N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate
CID 26005830
ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate
CID 23278167
(2S)-3,3-dimethyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 70836748
1-hydroxy-3-(4-hydroxyphenyl)-3-[[(2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoyl]amino]propane-1-sulfonic acid
CID 90019938

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate (CID 5479014) is benzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate is C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)NN.
What is the InChIKey of benzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is RUFWMZPCICASLB-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N4O4/c1-9(12(19)17-14)16-11(18)7-15-13(20)21-8-10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3,(H,15,20)(H,16,18)(H,17,19)/t9-/m0/s1.
What are the key properties of benzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate?
benzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 294.31 g/mol, XLogP of -0.59, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 5479014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).