4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid

C15H28N2O3 — CID 114548725

IUPAC4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid
SMILESCCC(CCNC(=O)NC1CCC(C)C1)CCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-3-12(5-7-14(18)19)8-9-16-15(20)17-13-6-4-11(2)10-13/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyMAOXLAMFFKNTCX-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.76
Rot. Bonds8

About 4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid

4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid (PubChem CID 114548725) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid
PubChem CID114548725
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid
SMILESCCC(CCNC(=O)NC1CCC(C)C1)CCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-3-12(5-7-14(18)19)8-9-16-15(20)17-13-6-4-11(2)10-13/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyMAOXLAMFFKNTCX-UHFFFAOYSA-N
XLogP2.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
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

4-ethyl-6-[(3-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107414639
6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid
CID 64733713
1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea
CID 130626358
4-ethyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 114424091
(2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid
CID 107841041
6-(2-chloroprop-2-enylcarbamoylamino)-4-ethylhexanoic acid
CID 113464801
4-[2-[(5-oxopyrrolidin-3-yl)carbamoylamino]ethyl]heptanoic acid
CID 106191609
2-hydroxy-4-[(4-methylcyclohexyl)carbamoylamino]butanoic acid
CID 107838097
1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea
CID 100656188
3-[(4-propan-2-ylcyclohexyl)carbamoylamino]propanoic acid
CID 122006845
5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732933
6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid
CID 114457173

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid?
The IUPAC name of 4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid (CID 114548725) is 4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid is CCC(CCNC(=O)NC1CCC(C)C1)CCC(=O)O.
What is the InChIKey of 4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid?
The InChIKey is MAOXLAMFFKNTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-12(5-7-14(18)19)8-9-16-15(20)17-13-6-4-11(2)10-13/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid?
4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 114548725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).