ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate

C6H12N2O3 — CID 130166517

IUPACethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
SMILESCCOC(=O)N[C@@H](C)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-3-11-6(10)8-4(2)5(7)9/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)/t4-/m0/s1
InChIKeyIPNDREDEFCFEJF-BYPYZUCNSA-N
MW160.17 g/mol
LogP-0.39
Rot. Bonds3

About ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate

ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate (PubChem CID 130166517) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
PubChem CID130166517
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Nameethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
SMILESCCOC(=O)N[C@@H](C)C(N)=O
InChIInChI=1S/C6H12N2O3/c1-3-11-6(10)8-4(2)5(7)9/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)/t4-/m0/s1
InChIKeyIPNDREDEFCFEJF-BYPYZUCNSA-N
XLogP-0.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobutanoate
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[(2R)-1-amino-1-oxopropan-2-yl]carbamic acid
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ethyl N-(1-bromopropan-2-yl)carbamate
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tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
ethyl N-(1-hydroxypropyl)carbamate
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ethyl 2-[2-(ethoxycarbonylamino)propanoylamino]-3-methylbutanoate
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ethyl N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]carbamate
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CID 62314871
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CID 167448544

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate?
The IUPAC name of ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate (CID 130166517) is ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate?
The canonical SMILES for ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate is CCOC(=O)N[C@@H](C)C(N)=O.
What is the InChIKey of ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate?
The InChIKey is IPNDREDEFCFEJF-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3-11-6(10)8-4(2)5(7)9/h4H,3H2,1-2H3,(H2,7,9)(H,8,10)/t4-/m0/s1.
What are the key properties of ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate?
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate has a molecular weight of 160.17 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 130166517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).