(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid

C7H15NO3 — CID 134164837

IUPAC(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC[C@@H](O)CC(=O)O
InChIInChI=1S/C7H15NO3/c1-5(2)8-4-6(9)3-7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyJSUILXIDLIJSEP-LURJTMIESA-N
MW161.20 g/mol
LogP-0.18
Rot. Bonds5

About (3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid

(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid (PubChem CID 134164837) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
PubChem CID134164837
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC[C@@H](O)CC(=O)O
InChIInChI=1S/C7H15NO3/c1-5(2)8-4-6(9)3-7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyJSUILXIDLIJSEP-LURJTMIESA-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

4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid
CID 103238903
3-hydroxy-4-(1-methylsulfanylpropan-2-ylamino)butanoic acid
CID 103266131
4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid
CID 103238569
3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid
CID 103265692
3-hydroxy-4-(prop-2-ynylamino)butanoic acid
CID 103230585
3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid
CID 103247695
3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid
CID 103254890
3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid
CID 103254061
(2S)-3-(propan-2-ylamino)propane-1,2-diol
CID 7019748
CID 90459779
CID 90459779
(2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol
CID 12624614
3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid
CID 103258978

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid?
The IUPAC name of (3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid (CID 134164837) is (3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for (3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid?
The canonical SMILES for (3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid is CC(C)NC[C@@H](O)CC(=O)O.
What is the InChIKey of (3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid?
The InChIKey is JSUILXIDLIJSEP-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO3/c1-5(2)8-4-6(9)3-7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid?
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic 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 (3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 134164837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).