(2S)-2-formamidopropanoic acid;hydrochloride

C4H8ClNO3 — CID 174752682

IUPAC(2S)-2-formamidopropanoic acid;hydrochloride
SMILESC[C@H](NC=O)C(=O)O.Cl
InChIInChI=1S/C4H7NO3.ClH/c1-3(4(7)8)5-2-6;/h2-3H,1H3,(H,5,6)(H,7,8);1H/t3-;/m0./s1
InChIKeyIRIFECUTDPNEBR-DFWYDOINSA-N
MW153.56 g/mol
LogP-0.37
Rot. Bonds3

About (2S)-2-formamidopropanoic acid;hydrochloride

(2S)-2-formamidopropanoic acid;hydrochloride (PubChem CID 174752682) has the molecular formula C4H8ClNO3 and a molecular weight of 153.56 g/mol. Its IUPAC name is (2S)-2-formamidopropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-formamidopropanoic acid;hydrochloride
PubChem CID174752682
Molecular FormulaC4H8ClNO3
Molecular Weight153.56 g/mol
Exact Mass153.02
IUPAC Name(2S)-2-formamidopropanoic acid;hydrochloride
SMILESC[C@H](NC=O)C(=O)O.Cl
InChIInChI=1S/C4H7NO3.ClH/c1-3(4(7)8)5-2-6;/h2-3H,1H3,(H,5,6)(H,7,8);1H/t3-;/m0./s1
InChIKeyIRIFECUTDPNEBR-DFWYDOINSA-N
XLogP-0.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.56
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-formamidopropanoic acid;hydrochloride?
The IUPAC name of (2S)-2-formamidopropanoic acid;hydrochloride (CID 174752682) is (2S)-2-formamidopropanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-formamidopropanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-formamidopropanoic acid;hydrochloride is C[C@H](NC=O)C(=O)O.Cl.
What is the InChIKey of (2S)-2-formamidopropanoic acid;hydrochloride?
The InChIKey is IRIFECUTDPNEBR-DFWYDOINSA-N. The full InChI is InChI=1S/C4H7NO3.ClH/c1-3(4(7)8)5-2-6;/h2-3H,1H3,(H,5,6)(H,7,8);1H/t3-;/m0./s1.
What are the key properties of (2S)-2-formamidopropanoic acid;hydrochloride?
(2S)-2-formamidopropanoic acid;hydrochloride has a molecular weight of 153.56 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-formamidopropanoic acid;hydrochloride is sourced from PubChem (CID 174752682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).