4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid

C14H19ClN2O3 — CID 64896597

IUPAC4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid
SMILESCCC(NC(=O)C(N)CCC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c1-2-12(9-4-3-5-10(15)8-9)17-14(20)11(16)6-7-13(18)19/h3-5,8,11-12H,2,6-7,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyDZRMQDFDOCRTHA-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.10
Rot. Bonds7

About 4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid

4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid (PubChem CID 64896597) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid
PubChem CID64896597
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid
SMILESCCC(NC(=O)C(N)CCC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c1-2-12(9-4-3-5-10(15)8-9)17-14(20)11(16)6-7-13(18)19/h3-5,8,11-12H,2,6-7,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyDZRMQDFDOCRTHA-UHFFFAOYSA-N
XLogP2.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[1-(3-chlorophenyl)propylamino]-4-oxobutanoic acid
CID 64894322
2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride
CID 119285536
2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
CID 81082683
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
(4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid
CID 129383494
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide
CID 81372543
4-[[(2S)-2-aminohexanoyl]amino]-4-phenylbutanoic acid
CID 107144822
2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide
CID 79796813
4-amino-5-[1-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid
CID 64889104
methyl 4-[(1R)-1-[[2-amino-2-(3-chlorophenyl)acetyl]amino]propyl]benzoate
CID 71243030

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid (CID 64896597) is 4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid is CCC(NC(=O)C(N)CCC(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid?
The InChIKey is DZRMQDFDOCRTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-2-12(9-4-3-5-10(15)8-9)17-14(20)11(16)6-7-13(18)19/h3-5,8,11-12H,2,6-7,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid?
4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid has a molecular weight of 298.77 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid is sourced from PubChem (CID 64896597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).