2-(butylamino)-3-hydroxypropanoic acid

C7H15NO3 — CID 22359178

IUPAC2-(butylamino)-3-hydroxypropanoic acid
SMILESCCCCNC(CO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-2-3-4-8-6(5-9)7(10)11/h6,8-9H,2-5H2,1H3,(H,10,11)
InChIKeyMHRYZUJLGUVINC-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.18
Rot. Bonds6

About 2-(butylamino)-3-hydroxypropanoic acid

2-(butylamino)-3-hydroxypropanoic acid (PubChem CID 22359178) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(butylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(butylamino)-3-hydroxypropanoic acid
PubChem CID22359178
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-(butylamino)-3-hydroxypropanoic acid
SMILESCCCCNC(CO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-2-3-4-8-6(5-9)7(10)11/h6,8-9H,2-5H2,1H3,(H,10,11)
InChIKeyMHRYZUJLGUVINC-UHFFFAOYSA-N
XLogP-0.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-3-hydroxypropanoic acid?
The IUPAC name of 2-(butylamino)-3-hydroxypropanoic acid (CID 22359178) is 2-(butylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(butylamino)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(butylamino)-3-hydroxypropanoic acid is CCCCNC(CO)C(=O)O.
What is the InChIKey of 2-(butylamino)-3-hydroxypropanoic acid?
The InChIKey is MHRYZUJLGUVINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-3-4-8-6(5-9)7(10)11/h6,8-9H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-(butylamino)-3-hydroxypropanoic acid?
2-(butylamino)-3-hydroxypropanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 22359178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).