4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid

C19H27N3O4 — CID 122076790

IUPAC4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H27N3O4/c1-19(2,12-11-16(23)24)22-18(26)21-15-9-7-13(8-10-15)17(25)20-14-5-3-4-6-14/h7-10,14H,3-6,11-12H2,1-2H3,(H,20,25)(H,23,24)(H2,21,22,26)
InChIKeyVYMKABDKHMILHP-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.12
Rot. Bonds7

About 4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid

4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid (PubChem CID 122076790) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid
PubChem CID122076790
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H27N3O4/c1-19(2,12-11-16(23)24)22-18(26)21-15-9-7-13(8-10-15)17(25)20-14-5-3-4-6-14/h7-10,14H,3-6,11-12H2,1-2H3,(H,20,25)(H,23,24)(H2,21,22,26)
InChIKeyVYMKABDKHMILHP-UHFFFAOYSA-N
XLogP3.12
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid
CID 62042412
3-[3-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122076784
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312
4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 62050370
4-[[3-(cyclohexanecarbonylamino)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086280
4-methyl-4-[[4-(oxolan-3-yl)phenyl]carbamoylamino]pentanoic acid
CID 122094321
4-benzamido-N-cyclopentylbenzamide
CID 1262350
4-[(4-cyanophenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043313
4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid
CID 122094608
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid (CID 122076790) is 4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1.
What is the InChIKey of 4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The InChIKey is VYMKABDKHMILHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-19(2,12-11-16(23)24)22-18(26)21-15-9-7-13(8-10-15)17(25)20-14-5-3-4-6-14/h7-10,14H,3-6,11-12H2,1-2H3,(H,20,25)(H,23,24)(H2,21,22,26).
What are the key properties of 4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid?
4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid has a molecular weight of 361.44 g/mol, XLogP of 3.12, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122076790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).