2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid

C14H26N2O3 — CID 80541155

IUPAC2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
SMILESCC(CCNC(=O)NC1CCCCCC1C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10-6-4-3-5-7-12(10)16-14(19)15-9-8-11(2)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyIJZMAGHJCAQTGU-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds5

About 2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid

2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid (PubChem CID 80541155) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
PubChem CID80541155
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
SMILESCC(CCNC(=O)NC1CCCCCC1C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10-6-4-3-5-7-12(10)16-14(19)15-9-8-11(2)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyIJZMAGHJCAQTGU-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 80540743
2-hydroxy-4-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 114007129
1-(2-methylcycloheptyl)-3-propylurea
CID 115660989
2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid
CID 82728122
2-methyl-4-[(2-methylsulfanylcyclopentyl)carbamoylamino]butanoic acid
CID 114121821
1-(2-methylcycloheptyl)-3-propan-2-ylurea
CID 115660988
1-ethyl-3-(2-methylcyclohexyl)urea
CID 112682943
1-(2-methoxyethyl)-3-(2-methylcyclohexyl)urea
CID 47133656
(2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid
CID 107839920
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816
1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea
CID 111104441
1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea
CID 108902589

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid (CID 80541155) is 2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid is CC(CCNC(=O)NC1CCCCCC1C)C(=O)O.
What is the InChIKey of 2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid?
The InChIKey is IJZMAGHJCAQTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10-6-4-3-5-7-12(10)16-14(19)15-9-8-11(2)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid?
2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 80541155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).