(2S)-3-acetamido-2-aminopropanoic acid

C5H10N2O3 — CID 12760440

IUPAC(2S)-3-acetamido-2-aminopropanoic acid
SMILESCC(=O)NC[C@H](N)C(=O)O
InChIInChI=1S/C5H10N2O3/c1-3(8)7-2-4(6)5(9)10/h4H,2,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKeyYSPAKPPINKSOKX-BYPYZUCNSA-N
MW146.15 g/mol
LogP-1.47
Rot. Bonds3

About (2S)-3-acetamido-2-aminopropanoic acid

(2S)-3-acetamido-2-aminopropanoic acid (PubChem CID 12760440) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (2S)-3-acetamido-2-aminopropanoic acid.

Molecular Properties

Compound Name(2S)-3-acetamido-2-aminopropanoic acid
PubChem CID12760440
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(2S)-3-acetamido-2-aminopropanoic acid
SMILESCC(=O)NC[C@H](N)C(=O)O
InChIInChI=1S/C5H10N2O3/c1-3(8)7-2-4(6)5(9)10/h4H,2,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKeyYSPAKPPINKSOKX-BYPYZUCNSA-N
XLogP-1.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-acetamido-2-aminopropanoic acid?
The IUPAC name of (2S)-3-acetamido-2-aminopropanoic acid (CID 12760440) is (2S)-3-acetamido-2-aminopropanoic acid.
What is the SMILES notation for (2S)-3-acetamido-2-aminopropanoic acid?
The canonical SMILES for (2S)-3-acetamido-2-aminopropanoic acid is CC(=O)NC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-3-acetamido-2-aminopropanoic acid?
The InChIKey is YSPAKPPINKSOKX-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-3(8)7-2-4(6)5(9)10/h4H,2,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-3-acetamido-2-aminopropanoic acid?
(2S)-3-acetamido-2-aminopropanoic acid has a molecular weight of 146.15 g/mol, XLogP of -1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-acetamido-2-aminopropanoic acid is sourced from PubChem (CID 12760440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).