4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid

C16H24N2O3 — CID 82014748

IUPAC4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid
SMILESCCCc1ccccc1NC(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C16H24N2O3/c1-3-6-13-7-4-5-8-14(13)18-16(21)17-11-12(2)9-10-15(19)20/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyITLXCPFAXQOPBS-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.26
Rot. Bonds8

About 4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid

4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid (PubChem CID 82014748) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid
PubChem CID82014748
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid
SMILESCCCc1ccccc1NC(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C16H24N2O3/c1-3-6-13-7-4-5-8-14(13)18-16(21)17-11-12(2)9-10-15(19)20/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyITLXCPFAXQOPBS-UHFFFAOYSA-N
XLogP3.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-bromophenyl)carbamoylamino]-4-methylpentanoic acid
CID 82688840
3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid
CID 65220763
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea
CID 111120539
5-(benzylcarbamoylamino)-4-methylpentanoic acid
CID 82689403
3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid
CID 107273577
5-[(2,5-dibromophenyl)carbamoylamino]-4-methylpentanoic acid
CID 82688853
3-methyl-4-[[2-(methylaminomethyl)phenyl]carbamoylamino]butanoic acid
CID 81070076
2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid
CID 103497022
4-amino-N-(2-propylphenyl)pentanamide;hydrochloride
CID 120559764
4-methyl-5-(2-phenylbutanoylamino)pentanoic acid
CID 82017105
1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea
CID 111474002
5-[(2-bromo-4-chlorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 82014613

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid (CID 82014748) is 4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid is CCCc1ccccc1NC(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid?
The InChIKey is ITLXCPFAXQOPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-6-13-7-4-5-8-14(13)18-16(21)17-11-12(2)9-10-15(19)20/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid?
4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 82014748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).