(2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid

C12H13ClFN3O4 — CID 107830691

IUPAC(2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)Nc1ccc(Cl)cc1F)C(=O)O
InChIInChI=1S/C12H13ClFN3O4/c13-6-1-2-8(7(14)5-6)16-12(21)17-9(11(19)20)3-4-10(15)18/h1-2,5,9H,3-4H2,(H2,15,18)(H,19,20)(H2,16,17,21)/t9-/m1/s1
InChIKeyXGPWDBRJLNZVCU-SECBINFHSA-N
MW317.70 g/mol
LogP1.32
Rot. Bonds6

About (2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid

(2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 107830691) has the molecular formula C12H13ClFN3O4 and a molecular weight of 317.70 g/mol. Its IUPAC name is (2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID107830691
Molecular FormulaC12H13ClFN3O4
Molecular Weight317.70 g/mol
Exact Mass317.06
IUPAC Name(2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)Nc1ccc(Cl)cc1F)C(=O)O
InChIInChI=1S/C12H13ClFN3O4/c13-6-1-2-8(7(14)5-6)16-12(21)17-9(11(19)20)3-4-10(15)18/h1-2,5,9H,3-4H2,(H2,15,18)(H,19,20)(H2,16,17,21)/t9-/m1/s1
InChIKeyXGPWDBRJLNZVCU-SECBINFHSA-N
XLogP1.32
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[(4-chloro-2-iodophenyl)carbamoylamino]-5-oxopentanoic acid
CID 107628334
2-[(5-chloro-2-fluorophenyl)carbamoylamino]pentanedioic acid
CID 61197126
2-[(2,4-difluorophenyl)carbamoylamino]pentanedioic acid
CID 60828611
5-amino-2-[(2-bromo-3-chlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 103480866
5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 65498843
(2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107831001
(2R)-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009986
(2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828516
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
(2S)-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 61471009
2-[(5-chloro-2-fluorophenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084402
2-amino-N-(4-chloro-2-fluorophenyl)butanediamide
CID 54928613

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid (CID 107830691) is (2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid is NC(=O)CC[C@@H](NC(=O)Nc1ccc(Cl)cc1F)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is XGPWDBRJLNZVCU-SECBINFHSA-N. The full InChI is InChI=1S/C12H13ClFN3O4/c13-6-1-2-8(7(14)5-6)16-12(21)17-9(11(19)20)3-4-10(15)18/h1-2,5,9H,3-4H2,(H2,15,18)(H,19,20)(H2,16,17,21)/t9-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 317.70 g/mol, XLogP of 1.32, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107830691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).