4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid

C14H20N2O4 — CID 81363763

IUPAC4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
SMILESCOc1ccc([C@H](C)NC(=O)C(N)CCC(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-9(10-3-5-11(20-2)6-4-10)16-14(19)12(15)7-8-13(17)18/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,19)(H,17,18)/t9-,12?/m0/s1
InChIKeyIHNGCIKHNXVLJP-QHGLUPRGSA-N
MW280.32 g/mol
LogP1.06
Rot. Bonds7

About 4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid

4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid (PubChem CID 81363763) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
PubChem CID81363763
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
SMILESCOc1ccc([C@H](C)NC(=O)C(N)CCC(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-9(10-3-5-11(20-2)6-4-10)16-14(19)12(15)7-8-13(17)18/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,19)(H,17,18)/t9-,12?/m0/s1
InChIKeyIHNGCIKHNXVLJP-QHGLUPRGSA-N
XLogP1.06
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic 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-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363996
4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid
CID 64889104
(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419
(2R)-2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363875
(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364305
2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylsulfonylbutanamide
CID 81368689
2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 81363764
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81370961
4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81387858
benzyl N-[(4R)-4-amino-5-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentyl]carbamate;hydrochloride
CID 131722023
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropanamide
CID 81363654
4-amino-4-(4-methoxyphenyl)butanoic acid;hydrochloride
CID 71757574

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid (CID 81363763) is 4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid is COc1ccc([C@H](C)NC(=O)C(N)CCC(=O)O)cc1.
What is the InChIKey of 4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid?
The InChIKey is IHNGCIKHNXVLJP-QHGLUPRGSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(10-3-5-11(20-2)6-4-10)16-14(19)12(15)7-8-13(17)18/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,19)(H,17,18)/t9-,12?/m0/s1.
What are the key properties of 4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid?
4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 81363763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).