benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate

C11H15N3O3 — CID 130155607

IUPACbenzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate
SMILESNCC(NC(=O)OCc1ccccc1)C(N)=O
InChIInChI=1S/C11H15N3O3/c12-6-9(10(13)15)14-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H2,13,15)(H,14,16)
InChIKeyGAHOZZIFSOKFPK-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.27
Rot. Bonds5

About benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate

benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate (PubChem CID 130155607) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate
PubChem CID130155607
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namebenzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate
SMILESNCC(NC(=O)OCc1ccccc1)C(N)=O
InChIInChI=1S/C11H15N3O3/c12-6-9(10(13)15)14-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H2,13,15)(H,14,16)
InChIKeyGAHOZZIFSOKFPK-UHFFFAOYSA-N
XLogP-0.27
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061
benzyl N-[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamate
CID 7020264
(4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 6992292
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate
CID 24854322
benzyl N-[(2S)-1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 177394473
methyl 4-amino-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
CID 11076827
benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 5289617
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
2,7-diamino-7-oxo-6-(phenylmethoxycarbonylamino)heptanoic acid
CID 11493537
(4S)-5-amino-2-tert-butyl-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 172680802
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate?
The IUPAC name of benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate (CID 130155607) is benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate?
The canonical SMILES for benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate is NCC(NC(=O)OCc1ccccc1)C(N)=O.
What is the InChIKey of benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate?
The InChIKey is GAHOZZIFSOKFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-6-9(10(13)15)14-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H2,13,15)(H,14,16).
What are the key properties of benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate?
benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate has a molecular weight of 237.26 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate is sourced from PubChem (CID 130155607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).