3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid

C15H18Cl2N2O4 — CID 91795654

IUPAC3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18Cl2N2O4/c1-8(2)12(6-14(21)22)19-13(20)7-18-15(23)10-5-9(16)3-4-11(10)17/h3-5,8,12H,6-7H2,1-2H3,(H,18,23)(H,19,20)(H,21,22)
InChIKeyWOCVEKWWJJIUDC-UHFFFAOYSA-N
MW361.23 g/mol
LogP2.34
Rot. Bonds7

About 3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid

3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid (PubChem CID 91795654) has the molecular formula C15H18Cl2N2O4 and a molecular weight of 361.23 g/mol. Its IUPAC name is 3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
PubChem CID91795654
Molecular FormulaC15H18Cl2N2O4
Molecular Weight361.23 g/mol
Exact Mass360.06
IUPAC Name3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18Cl2N2O4/c1-8(2)12(6-14(21)22)19-13(20)7-18-15(23)10-5-9(16)3-4-11(10)17/h3-5,8,12H,6-7H2,1-2H3,(H,18,23)(H,19,20)(H,21,22)
InChIKeyWOCVEKWWJJIUDC-UHFFFAOYSA-N
XLogP2.34
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Ixazomib
CID 25183872
SORT-PGRN interaction inhibitor 3
CID 153835400
2-((4-Chlorophenyl)formamido)-3-methylbutanoic acid
CID 2770855
2-((4-Chlorophenyl)formamido)-4-methylpentanoic acid
CID 4994387
[(1R)-1-[[(2S)-2-[(2,5-dichlorobenzoyl)amino]-3-methylbutanoyl]amino]-3-methylbutyl]boronic acid
CID 168297390
N-[(4-chlorophenyl)carbonyl]norleucine
CID 658554
2-[(2-Chlorophenyl)formamido]propanoic acid
CID 2787609
2-[(3-Chlorobenzoyl)amino]-4-methylpentanoic acid
CID 3561804
4-(3-Chloro-benzoylamino)-4-(3,3-diethyl-pentylcarbamoyl)-butyric acid
CID 44349413
[(1R)-1-[[(2S)-2-[(2,5-dichlorobenzoyl)amino]-3-methoxypropanoyl]amino]-3-methylbutyl]boronic acid
CID 145983051
(2S)-2-[(3,5-dichlorobenzoyl)amino]-4,4-dimethylpentanoic acid
CID 162658955
(2S)-2-[[(2S)-2-[(2,5-dichlorobenzoyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 164524620

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid (CID 91795654) is 3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid is CC(C)C(CC(=O)O)NC(=O)CNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid?
The InChIKey is WOCVEKWWJJIUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4/c1-8(2)12(6-14(21)22)19-13(20)7-18-15(23)10-5-9(16)3-4-11(10)17/h3-5,8,12H,6-7H2,1-2H3,(H,18,23)(H,19,20)(H,21,22).
What are the key properties of 3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid?
3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid has a molecular weight of 361.23 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 91795654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).