[(2S)-4-formamido-3-hydroxybutan-2-yl]carbamic acid

C6H12N2O4 — CID 118525653

IUPAC[(2S)-4-formamido-3-hydroxybutan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)C(O)CNC=O
InChIInChI=1S/C6H12N2O4/c1-4(8-6(11)12)5(10)2-7-3-9/h3-5,8,10H,2H2,1H3,(H,7,9)(H,11,12)/t4-,5?/m0/s1
InChIKeyLNSHQEYOVCNRTK-ROLXFIACSA-N
MW176.17 g/mol
LogP-1.25
Rot. Bonds5

About [(2S)-4-formamido-3-hydroxybutan-2-yl]carbamic acid

[(2S)-4-formamido-3-hydroxybutan-2-yl]carbamic acid (PubChem CID 118525653) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is [(2S)-4-formamido-3-hydroxybutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-4-formamido-3-hydroxybutan-2-yl]carbamic acid
PubChem CID118525653
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name[(2S)-4-formamido-3-hydroxybutan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)C(O)CNC=O
InChIInChI=1S/C6H12N2O4/c1-4(8-6(11)12)5(10)2-7-3-9/h3-5,8,10H,2H2,1H3,(H,7,9)(H,11,12)/t4-,5?/m0/s1
InChIKeyLNSHQEYOVCNRTK-ROLXFIACSA-N
XLogP-1.25
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
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)-4-formamido-3-hydroxybutan-2-yl]carbamic acid?
The IUPAC name of [(2S)-4-formamido-3-hydroxybutan-2-yl]carbamic acid (CID 118525653) is [(2S)-4-formamido-3-hydroxybutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-4-formamido-3-hydroxybutan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-4-formamido-3-hydroxybutan-2-yl]carbamic acid is C[C@H](NC(=O)O)C(O)CNC=O.
What is the InChIKey of [(2S)-4-formamido-3-hydroxybutan-2-yl]carbamic acid?
The InChIKey is LNSHQEYOVCNRTK-ROLXFIACSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-4(8-6(11)12)5(10)2-7-3-9/h3-5,8,10H,2H2,1H3,(H,7,9)(H,11,12)/t4-,5?/m0/s1.
What are the key properties of [(2S)-4-formamido-3-hydroxybutan-2-yl]carbamic acid?
[(2S)-4-formamido-3-hydroxybutan-2-yl]carbamic acid has a molecular weight of 176.17 g/mol, XLogP of -1.25, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-formamido-3-hydroxybutan-2-yl]carbamic acid is sourced from PubChem (CID 118525653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).