(2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid

C14H22N2O4 — CID 139896071

IUPAC(2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid
SMILESCOc1ccc([C@H](CO)NCCC[C@@H](N)C(=O)O)cc1
InChIInChI=1S/C14H22N2O4/c1-20-11-6-4-10(5-7-11)13(9-17)16-8-2-3-12(15)14(18)19/h4-7,12-13,16-17H,2-3,8-9,15H2,1H3,(H,18,19)/t12-,13+/m1/s1
InChIKeyWFNJHQFZCSSOQU-OLZOCXBDSA-N
MW282.34 g/mol
LogP0.51
Rot. Bonds9

About (2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid

(2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid (PubChem CID 139896071) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid
PubChem CID139896071
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name(2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid
SMILESCOc1ccc([C@H](CO)NCCC[C@@H](N)C(=O)O)cc1
InChIInChI=1S/C14H22N2O4/c1-20-11-6-4-10(5-7-11)13(9-17)16-8-2-3-12(15)14(18)19/h4-7,12-13,16-17H,2-3,8-9,15H2,1H3,(H,18,19)/t12-,13+/m1/s1
InChIKeyWFNJHQFZCSSOQU-OLZOCXBDSA-N
XLogP0.51
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic 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

(2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide
CID 141009341
benzyl N-[(4R)-4-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentyl]carbamate;hydrochloride
CID 131722076
4-[1-(4-methoxyphenyl)propylamino]butanoic acid
CID 54920949
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
(2S,4S)-2,4-diamino-4-(4-methoxyphenyl)butanoic acid
CID 129462911
2-amino-5-(1-carboxyethylamino)pentanoic acid
CID 22057595
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455
2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid
CID 82027139
(2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid
CID 134819868
4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride
CID 54602354
(2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid
CID 153255398
(2S)-2-aminopentanedioic acid;anisole
CID 70447699

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid (CID 139896071) is (2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid is COc1ccc([C@H](CO)NCCC[C@@H](N)C(=O)O)cc1.
What is the InChIKey of (2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid?
The InChIKey is WFNJHQFZCSSOQU-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-20-11-6-4-10(5-7-11)13(9-17)16-8-2-3-12(15)14(18)19/h4-7,12-13,16-17H,2-3,8-9,15H2,1H3,(H,18,19)/t12-,13+/m1/s1.
What are the key properties of (2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid?
(2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid has a molecular weight of 282.34 g/mol, XLogP of 0.51, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid is sourced from PubChem (CID 139896071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).