4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid

C14H20N2O4 — CID 81387858

IUPAC4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
SMILESCOc1ccccc1[C@H](C)NC(=O)C(N)CCC(=O)O
InChIInChI=1S/C14H20N2O4/c1-9(10-5-3-4-6-12(10)20-2)16-14(19)11(15)7-8-13(17)18/h3-6,9,11H,7-8,15H2,1-2H3,(H,16,19)(H,17,18)/t9-,11?/m0/s1
InChIKeyBZQAHFHBUHYJDH-FTNKSUMCSA-N
MW280.32 g/mol
LogP1.06
Rot. Bonds7

About 4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid

4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid (PubChem CID 81387858) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
PubChem CID81387858
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
SMILESCOc1ccccc1[C@H](C)NC(=O)C(N)CCC(=O)O
InChIInChI=1S/C14H20N2O4/c1-9(10-5-3-4-6-12(10)20-2)16-14(19)11(15)7-8-13(17)18/h3-6,9,11H,7-8,15H2,1-2H3,(H,16,19)(H,17,18)/t9-,11?/m0/s1
InChIKeyBZQAHFHBUHYJDH-FTNKSUMCSA-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

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Related Compounds

2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride
CID 119955956
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81387944
4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81363763
(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81387074
(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006
4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid
CID 64889104
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide
CID 81387473
4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid
CID 64887951

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid (CID 81387858) is 4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid is COc1ccccc1[C@H](C)NC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid?
The InChIKey is BZQAHFHBUHYJDH-FTNKSUMCSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(10-5-3-4-6-12(10)20-2)16-14(19)11(15)7-8-13(17)18/h3-6,9,11H,7-8,15H2,1-2H3,(H,16,19)(H,17,18)/t9-,11?/m0/s1.
What are the key properties of 4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid?
4-amino-5-[[(1S)-1-(2-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-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 81387858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).