3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid

C12H17NO3 — CID 117115833

IUPAC3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid
SMILESNC(CC(=O)O)c1ccc(CCCO)cc1
InChIInChI=1S/C12H17NO3/c13-11(8-12(15)16)10-5-3-9(4-6-10)2-1-7-14/h3-6,11,14H,1-2,7-8,13H2,(H,15,16)
InChIKeyWCENUHXEEQIUAM-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.09
Rot. Bonds6

About 3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid

3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid (PubChem CID 117115833) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid
PubChem CID117115833
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid
SMILESNC(CC(=O)O)c1ccc(CCCO)cc1
InChIInChI=1S/C12H17NO3/c13-11(8-12(15)16)10-5-3-9(4-6-10)2-1-7-14/h3-6,11,14H,1-2,7-8,13H2,(H,15,16)
InChIKeyWCENUHXEEQIUAM-UHFFFAOYSA-N
XLogP1.09
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919
(3R)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 940967
(3S)-3-amino-3-[4-(difluoromethyl)phenyl]propanoic acid
CID 79016031
3-amino-3-(4-chlorophenyl)propanoic acid;azane
CID 175752194
3-amino-3-(4-carbamoylphenyl)propanoic acid
CID 84675902
(3R)-3-amino-3-(4-ethynylphenyl)propanoic acid
CID 130649831
(3R)-3-amino-3-[4-(methylamino)phenyl]propanoic acid
CID 130649436
1-amino-1,6-diphenylhexan-3-one
CID 116552978
3-[4-(1-amino-3-methoxy-3-oxopropyl)phenyl]propanoic acid;hydrochloride
CID 162344784
3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butanoic acid
CID 171877617
(3S)-3-amino-3-(4-pyridin-4-ylphenyl)propanoic acid
CID 124679314
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid?
The IUPAC name of 3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid (CID 117115833) is 3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid.
What is the SMILES notation for 3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid?
The canonical SMILES for 3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid is NC(CC(=O)O)c1ccc(CCCO)cc1.
What is the InChIKey of 3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid?
The InChIKey is WCENUHXEEQIUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c13-11(8-12(15)16)10-5-3-9(4-6-10)2-1-7-14/h3-6,11,14H,1-2,7-8,13H2,(H,15,16).
What are the key properties of 3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid?
3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid is sourced from PubChem (CID 117115833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).