2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid

C15H21NO5 — CID 70085119

IUPAC2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NCC(C(=O)O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H21NO5/c1-9(2)7-13(15(20)21)16-8-12(14(18)19)10-3-5-11(17)6-4-10/h3-6,9,12-13,16-17H,7-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyBLEMMZWXBJHNQN-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.65
Rot. Bonds8

About 2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid

2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid (PubChem CID 70085119) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid
PubChem CID70085119
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NCC(C(=O)O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H21NO5/c1-9(2)7-13(15(20)21)16-8-12(14(18)19)10-3-5-11(17)6-4-10/h3-6,9,12-13,16-17H,7-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyBLEMMZWXBJHNQN-UHFFFAOYSA-N
XLogP1.65
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-carboxy-2-(4-pyrrol-1-ylphenyl)ethyl]amino]-4-methylpentanoic acid
CID 70084937
(2R)-2-[[2-hydroxy-3-(4-hydroxyphenyl)propyl]amino]-4-methylpentanoic acid
CID 57107214
2-[[2-carboxy-2-[4-[(3,5-dimethylphenyl)carbamoyl]phenyl]ethyl]amino]-4-methylpentanoic acid
CID 70087236
2-[[2-carboxy-2-(4-quinolin-3-ylphenyl)ethyl]amino]-4-methylpentanoic acid
CID 70085837
2-[[2-carboxy-2-[4-(3-chloro-4-ethoxy-2-pyridinyl)phenyl]ethyl]amino]-4-methylpentanoic acid
CID 70085841
2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20564816
(2S)-2-(2,4-dimethylpentylamino)-4-methylpentanoic acid
CID 122037109
2-[[2-carboxy-2-[5-(4-methylphenyl)furan-2-yl]ethyl]amino]-4-methylpentanoic acid
CID 70086148
(2S)-4-methyl-2-[(2-methyl-3-oxo-3-phenylmethoxypropyl)amino]pentanoic acid
CID 18661239
4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid
CID 122044135
(2S)-2-[(2-carboxy-2-hydroxyethyl)amino]-4-methylpentanoic acid
CID 91147914
2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
CID 78996615

Frequently Asked Questions

What is the IUPAC name of 2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid (CID 70085119) is 2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid is CC(C)CC(NCC(C(=O)O)c1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid?
The InChIKey is BLEMMZWXBJHNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-9(2)7-13(15(20)21)16-8-12(14(18)19)10-3-5-11(17)6-4-10/h3-6,9,12-13,16-17H,7-8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid?
2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid has a molecular weight of 295.33 g/mol, XLogP of 1.65, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 70085119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).