2-(butan-2-ylamino)-3-hydroxypropanoic acid

C7H15NO3 — CID 79689063

IUPAC2-(butan-2-ylamino)-3-hydroxypropanoic acid
SMILESCCC(C)NC(CO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-3-5(2)8-6(4-9)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)
InChIKeyXBPBGJSXMYMZSW-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.18
Rot. Bonds5

About 2-(butan-2-ylamino)-3-hydroxypropanoic acid

2-(butan-2-ylamino)-3-hydroxypropanoic acid (PubChem CID 79689063) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)-3-hydroxypropanoic acid
PubChem CID79689063
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-(butan-2-ylamino)-3-hydroxypropanoic acid
SMILESCCC(C)NC(CO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-3-5(2)8-6(4-9)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)
InChIKeyXBPBGJSXMYMZSW-UHFFFAOYSA-N
XLogP-0.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

(2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid
CID 93054816
(2S)-2-[[(2S)-butan-2-yl]amino]-4-sulfanylbutanoic acid
CID 88802141
(2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid
CID 155353279
2-(butan-2-ylamino)-3-methylbutanoic acid
CID 12837669
3-(butan-2-ylamino)-4-oxopentanoic acid
CID 82322638
(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
2-(1-hydroxyethylamino)butanoic acid
CID 141327020
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
(2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid
CID 87078659
bis(2-methylbutanoic acid);nickel
CID 170549792
CID 88513173
CID 88513173
iron;2-methylbutanoic acid
CID 175205801

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-3-hydroxypropanoic acid?
The IUPAC name of 2-(butan-2-ylamino)-3-hydroxypropanoic acid (CID 79689063) is 2-(butan-2-ylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(butan-2-ylamino)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(butan-2-ylamino)-3-hydroxypropanoic acid is CCC(C)NC(CO)C(=O)O.
What is the InChIKey of 2-(butan-2-ylamino)-3-hydroxypropanoic acid?
The InChIKey is XBPBGJSXMYMZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-5(2)8-6(4-9)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-(butan-2-ylamino)-3-hydroxypropanoic acid?
2-(butan-2-ylamino)-3-hydroxypropanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 79689063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).