3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid

C15H28N2O3 — CID 81069457

IUPAC3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)NC1CCCC(CC)C1)CC(=O)O
InChIInChI=1S/C15H28N2O3/c1-3-11-6-5-7-13(8-11)17-15(20)16-10-12(4-2)9-14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyBSKADCGDZQSXJV-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.76
Rot. Bonds7

About 3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid

3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid (PubChem CID 81069457) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid
PubChem CID81069457
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)NC1CCCC(CC)C1)CC(=O)O
InChIInChI=1S/C15H28N2O3/c1-3-11-6-5-7-13(8-11)17-15(20)16-10-12(4-2)9-14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyBSKADCGDZQSXJV-UHFFFAOYSA-N
XLogP2.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid
CID 81066653
3-[(oxan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 81069079
3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid
CID 81069465
4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 80541030
3-[(3-ethylcyclohexyl)carbamoylamino]-3-methylbutanoic acid
CID 64743923
3-[[(2-hydroxycyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 81070037
(2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid
CID 64743340
2-ethyl-2-[[(3-ethylcyclohexyl)carbamoylamino]methyl]butanoic acid
CID 115431235
2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801081
4-[(4-ethylcyclohexyl)carbamoylamino]-3-methylbutanoic acid
CID 81069634
3-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]pentanoic acid
CID 82728333
5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 64743920

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid?
The IUPAC name of 3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid (CID 81069457) is 3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid is CCC(CNC(=O)NC1CCCC(CC)C1)CC(=O)O.
What is the InChIKey of 3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid?
The InChIKey is BSKADCGDZQSXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-11-6-5-7-13(8-11)17-15(20)16-10-12(4-2)9-14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid?
3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 81069457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).