4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid

C14H20N2O4 — CID 64889104

IUPAC4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid
SMILESCOc1cccc(C(C)NC(=O)C(N)CCC(=O)O)c1
InChIInChI=1S/C14H20N2O4/c1-9(10-4-3-5-11(8-10)20-2)16-14(19)12(15)6-7-13(17)18/h3-5,8-9,12H,6-7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyFHWVYVSOBBLQHV-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.06
Rot. Bonds7

About 4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid

4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid (PubChem CID 64889104) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid
PubChem CID64889104
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid
SMILESCOc1cccc(C(C)NC(=O)C(N)CCC(=O)O)c1
InChIInChI=1S/C14H20N2O4/c1-9(10-4-3-5-11(8-10)20-2)16-14(19)12(15)6-7-13(17)18/h3-5,8-9,12H,6-7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyFHWVYVSOBBLQHV-UHFFFAOYSA-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

4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81363763
(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61179411
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 93359650
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanediamide
CID 81373933
4-amino-5-[1-(3-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890884
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 81354308
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81373790
2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81373712
4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81387858
(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide
CID 107568388
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 60934244

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid (CID 64889104) is 4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid is COc1cccc(C(C)NC(=O)C(N)CCC(=O)O)c1.
What is the InChIKey of 4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid?
The InChIKey is FHWVYVSOBBLQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(10-4-3-5-11(8-10)20-2)16-14(19)12(15)6-7-13(17)18/h3-5,8-9,12H,6-7,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid?
4-amino-5-[1-(3-methoxyphenyl)ethylamino]-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-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 64889104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).