4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid

C9H17NO3 — CID 103238569

IUPAC4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid
SMILESCC(NCC(O)CC(=O)O)C1CC1
InChIInChI=1S/C9H17NO3/c1-6(7-2-3-7)10-5-8(11)4-9(12)13/h6-8,10-11H,2-5H2,1H3,(H,12,13)
InChIKeyFTRYJUFEAQUARG-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.21
Rot. Bonds6

About 4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid

4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid (PubChem CID 103238569) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid
PubChem CID103238569
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid
SMILESCC(NCC(O)CC(=O)O)C1CC1
InChIInChI=1S/C9H17NO3/c1-6(7-2-3-7)10-5-8(11)4-9(12)13/h6-8,10-11H,2-5H2,1H3,(H,12,13)
InChIKeyFTRYJUFEAQUARG-UHFFFAOYSA-N
XLogP0.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate
CID 103268251
(2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 93082136
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid
CID 103251562
3-(1-cyclopentylethylamino)propane-1,2-diol
CID 66177375
1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832
4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid
CID 103238903
3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol
CID 103740416
1-(1-cyclopentylethylamino)pentan-2-ol
CID 115719405
(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
CID 94524291
3-hydroxy-4-(1-methylsulfanylpropan-2-ylamino)butanoic acid
CID 103266131
2-amino-3-(1-cyclopentylethylamino)propanoic acid
CID 103251923

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid?
The IUPAC name of 4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid (CID 103238569) is 4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid.
What is the SMILES notation for 4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid?
The canonical SMILES for 4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid is CC(NCC(O)CC(=O)O)C1CC1.
What is the InChIKey of 4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid?
The InChIKey is FTRYJUFEAQUARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(7-2-3-7)10-5-8(11)4-9(12)13/h6-8,10-11H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid?
4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid is sourced from PubChem (CID 103238569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).