5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid

C12H13Cl2N3O4 — CID 65498843

IUPAC5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)Nc1c(Cl)cccc1Cl)C(=O)O
InChIInChI=1S/C12H13Cl2N3O4/c13-6-2-1-3-7(14)10(6)17-12(21)16-8(11(19)20)4-5-9(15)18/h1-3,8H,4-5H2,(H2,15,18)(H,19,20)(H2,16,17,21)
InChIKeyDRTDYGMCUDRCLS-UHFFFAOYSA-N
MW334.16 g/mol
LogP1.83
Rot. Bonds6

About 5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid

5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 65498843) has the molecular formula C12H13Cl2N3O4 and a molecular weight of 334.16 g/mol. Its IUPAC name is 5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID65498843
Molecular FormulaC12H13Cl2N3O4
Molecular Weight334.16 g/mol
Exact Mass333.03
IUPAC Name5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)Nc1c(Cl)cccc1Cl)C(=O)O
InChIInChI=1S/C12H13Cl2N3O4/c13-6-2-1-3-7(14)10(6)17-12(21)16-8(11(19)20)4-5-9(15)18/h1-3,8H,4-5H2,(H2,15,18)(H,19,20)(H2,16,17,21)
InChIKeyDRTDYGMCUDRCLS-UHFFFAOYSA-N
XLogP1.83
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[(2-bromo-3-chlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 103480866
4-amino-2-[(2-chloro-6-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 66252939
(2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 107830691
5-amino-2-[(4-chloro-2-iodophenyl)carbamoylamino]-5-oxopentanoic acid
CID 107628334
4-amino-2-[(2,6-dibromophenyl)carbamoylamino]-4-oxobutanoic acid
CID 107601699
(2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757028
(2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 61200031
(2S)-5-amino-2-(benzylcarbamoylamino)-5-oxopentanoic acid
CID 61181145
(2S)-5-amino-2-[(2-chloro-5-hydroxybenzoyl)amino]-5-oxopentanoic acid
CID 106500238
2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 103480767
(2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107831001
(2S)-2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825780

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid (CID 65498843) is 5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid is NC(=O)CCC(NC(=O)Nc1c(Cl)cccc1Cl)C(=O)O.
What is the InChIKey of 5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is DRTDYGMCUDRCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O4/c13-6-2-1-3-7(14)10(6)17-12(21)16-8(11(19)20)4-5-9(15)18/h1-3,8H,4-5H2,(H2,15,18)(H,19,20)(H2,16,17,21).
What are the key properties of 5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid?
5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 334.16 g/mol, XLogP of 1.83, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 65498843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).