(2S)-3-formamido-2-hydroxypropanoic acid

C4H7NO4 — CID 22855355

IUPAC(2S)-3-formamido-2-hydroxypropanoic acid
SMILESO=CNC[C@H](O)C(=O)O
InChIInChI=1S/C4H7NO4/c6-2-5-1-3(7)4(8)9/h2-3,7H,1H2,(H,5,6)(H,8,9)/t3-/m0/s1
InChIKeyMGZKLMXORRUSMO-VKHMYHEASA-N
MW133.10 g/mol
LogP-1.82
Rot. Bonds4

About (2S)-3-formamido-2-hydroxypropanoic acid

(2S)-3-formamido-2-hydroxypropanoic acid (PubChem CID 22855355) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is (2S)-3-formamido-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-formamido-2-hydroxypropanoic acid
PubChem CID22855355
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC Name(2S)-3-formamido-2-hydroxypropanoic acid
SMILESO=CNC[C@H](O)C(=O)O
InChIInChI=1S/C4H7NO4/c6-2-5-1-3(7)4(8)9/h2-3,7H,1H2,(H,5,6)(H,8,9)/t3-/m0/s1
InChIKeyMGZKLMXORRUSMO-VKHMYHEASA-N
XLogP-1.82
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-3-formamido-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-formamido-2-hydroxypropanoic acid (CID 22855355) is (2S)-3-formamido-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-formamido-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-formamido-2-hydroxypropanoic acid is O=CNC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-formamido-2-hydroxypropanoic acid?
The InChIKey is MGZKLMXORRUSMO-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7NO4/c6-2-5-1-3(7)4(8)9/h2-3,7H,1H2,(H,5,6)(H,8,9)/t3-/m0/s1.
What are the key properties of (2S)-3-formamido-2-hydroxypropanoic acid?
(2S)-3-formamido-2-hydroxypropanoic acid has a molecular weight of 133.10 g/mol, XLogP of -1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-formamido-2-hydroxypropanoic acid is sourced from PubChem (CID 22855355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).