benzyl N-(2-aminopropanoyl)carbamate

C11H14N2O3 — CID 54205140

IUPACbenzyl N-(2-aminopropanoyl)carbamate
SMILESCC(N)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C11H14N2O3/c1-8(12)10(14)13-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3,(H,13,14,15)
InChIKeyVBVMYOSFPBQLAP-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.79
Rot. Bonds3

About benzyl N-(2-aminopropanoyl)carbamate

benzyl N-(2-aminopropanoyl)carbamate (PubChem CID 54205140) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is benzyl N-(2-aminopropanoyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-aminopropanoyl)carbamate
PubChem CID54205140
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namebenzyl N-(2-aminopropanoyl)carbamate
SMILESCC(N)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C11H14N2O3/c1-8(12)10(14)13-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3,(H,13,14,15)
InChIKeyVBVMYOSFPBQLAP-UHFFFAOYSA-N
XLogP0.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-amino-3-hydroxybutanoyl)carbamate
CID 19774489
benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate
CID 67860655
benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate
CID 150888209
bis(benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate);hydrate
CID 70485700
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
benzyl N-[(2S)-2-[7-[[(2S)-1-oxo-1-(phenylmethoxycarbonylamino)propan-2-yl]amino]heptylamino]propanoyl]carbamate
CID 123365033
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl N-(2,5-diaminopentanoyl)carbamate
CID 67793567
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate
CID 18643839
benzyl N-[(2S,3S)-3-methyl-2-(2-methylpropylamino)pentanoyl]carbamate
CID 70047039
benzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate
CID 76777603

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-aminopropanoyl)carbamate?
The IUPAC name of benzyl N-(2-aminopropanoyl)carbamate (CID 54205140) is benzyl N-(2-aminopropanoyl)carbamate.
What is the SMILES notation for benzyl N-(2-aminopropanoyl)carbamate?
The canonical SMILES for benzyl N-(2-aminopropanoyl)carbamate is CC(N)C(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-aminopropanoyl)carbamate?
The InChIKey is VBVMYOSFPBQLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(12)10(14)13-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3,(H,13,14,15).
What are the key properties of benzyl N-(2-aminopropanoyl)carbamate?
benzyl N-(2-aminopropanoyl)carbamate has a molecular weight of 222.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-aminopropanoyl)carbamate is sourced from PubChem (CID 54205140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).