2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid

C14H17Cl2N3O4 — CID 126563751

IUPAC2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)CNC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C14H17Cl2N3O4/c1-2-3-11(13(21)22)19-12(20)7-17-14(23)18-8-4-5-9(15)10(16)6-8/h4-6,11H,2-3,7H2,1H3,(H,19,20)(H,21,22)(H2,17,18,23)
InChIKeyFMGHSVPDTVJVCH-UHFFFAOYSA-N
MW362.21 g/mol
LogP2.48
Rot. Bonds7

About 2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid

2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid (PubChem CID 126563751) has the molecular formula C14H17Cl2N3O4 and a molecular weight of 362.21 g/mol. Its IUPAC name is 2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid
PubChem CID126563751
Molecular FormulaC14H17Cl2N3O4
Molecular Weight362.21 g/mol
Exact Mass361.06
IUPAC Name2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)CNC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C14H17Cl2N3O4/c1-2-3-11(13(21)22)19-12(20)7-17-14(23)18-8-4-5-9(15)10(16)6-8/h4-6,11H,2-3,7H2,1H3,(H,19,20)(H,21,22)(H2,17,18,23)
InChIKeyFMGHSVPDTVJVCH-UHFFFAOYSA-N
XLogP2.48
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-[(4-bromophenyl)carbamoylamino]acetyl]amino]pentanoic acid
CID 126520434
(2S)-2-[[2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 27154407
1-(3,4-dichlorophenyl)-3-[(2S)-pentan-2-yl]urea
CID 41098235
(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 107562883
2-[(3-chlorophenyl)carbamoylamino]pentanoic acid
CID 43631122
2-[(3,4-dichlorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076508
(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
CID 107566022
2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 5144117
(2S)-2-[(2,5-dichlorophenyl)carbamoylamino]pentanoic acid
CID 107564807
2-chloro-4-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]benzoic acid
CID 61399201
4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107835081
(2R)-2-[(3-bromo-4-methylphenyl)carbamoylamino]pentanoic acid
CID 107566984

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid (CID 126563751) is 2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid is CCCC(NC(=O)CNC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid?
The InChIKey is FMGHSVPDTVJVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O4/c1-2-3-11(13(21)22)19-12(20)7-17-14(23)18-8-4-5-9(15)10(16)6-8/h4-6,11H,2-3,7H2,1H3,(H,19,20)(H,21,22)(H2,17,18,23).
What are the key properties of 2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid?
2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid has a molecular weight of 362.21 g/mol, XLogP of 2.48, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 126563751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).