(2S)-2-(ethoxycarbonylamino)propanoic acid

C6H11NO4 — CID 10558934

IUPAC(2S)-2-(ethoxycarbonylamino)propanoic acid
SMILESCCOC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C6H11NO4/c1-3-11-6(10)7-4(2)5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)/t4-/m0/s1
InChIKeyJYQWKPMPTMJFCY-BYPYZUCNSA-N
MW161.16 g/mol
LogP0.21
Rot. Bonds3

About (2S)-2-(ethoxycarbonylamino)propanoic acid

(2S)-2-(ethoxycarbonylamino)propanoic acid (PubChem CID 10558934) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2S)-2-(ethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(ethoxycarbonylamino)propanoic acid
PubChem CID10558934
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(2S)-2-(ethoxycarbonylamino)propanoic acid
SMILESCCOC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C6H11NO4/c1-3-11-6(10)7-4(2)5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)/t4-/m0/s1
InChIKeyJYQWKPMPTMJFCY-BYPYZUCNSA-N
XLogP0.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-((methoxycarbonyl)amino)-3-methylbutanoic acid
CID 10942966
Tert-butoxycarbonylalanine
CID 85082
N-Formylalanine
CID 79996
N-[tert-butoxycarbonyl]-L-serine
CID 98766
2-N-Boc-aminopropionic acid
CID 268471
N-Formyl-L-alanine
CID 1810758
Glycine, N-(ethoxycarbonyl)-
CID 96472
(R)-2-tert-butoxycarbonylamino-3-hydroxy propionic acid
CID 637603
BOC-D-alanine
CID 637606
2-((tert-Butoxycarbonyl)amino)-3-hydroxypropanoic acid
CID 294907
(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-fluoropropanoic acid
CID 13105160
2-((Methoxycarbonyl)amino)-3-methylbutanoic acid
CID 13821101

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethoxycarbonylamino)propanoic acid?
The IUPAC name of (2S)-2-(ethoxycarbonylamino)propanoic acid (CID 10558934) is (2S)-2-(ethoxycarbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(ethoxycarbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-(ethoxycarbonylamino)propanoic acid is CCOC(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(ethoxycarbonylamino)propanoic acid?
The InChIKey is JYQWKPMPTMJFCY-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3-11-6(10)7-4(2)5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)/t4-/m0/s1.
What are the key properties of (2S)-2-(ethoxycarbonylamino)propanoic acid?
(2S)-2-(ethoxycarbonylamino)propanoic acid has a molecular weight of 161.16 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 10558934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).