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

C16H30N2O3 — CID 107414639

IUPAC4-ethyl-6-[(3-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
SMILESCCC(CCNC(=O)NCC1CCC(C)C1)CCC(=O)O
InChIInChI=1S/C16H30N2O3/c1-3-13(6-7-15(19)20)8-9-17-16(21)18-11-14-5-4-12(2)10-14/h12-14H,3-11H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyDOWUMTSEALCSNI-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.00
Rot. Bonds9

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

4-ethyl-6-[(3-methylcyclopentyl)methylcarbamoylamino]hexanoic acid (PubChem CID 107414639) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-ethyl-6-[(3-methylcyclopentyl)methylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name4-ethyl-6-[(3-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
PubChem CID107414639
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name4-ethyl-6-[(3-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
SMILESCCC(CCNC(=O)NCC1CCC(C)C1)CCC(=O)O
InChIInChI=1S/C16H30N2O3/c1-3-13(6-7-15(19)20)8-9-17-16(21)18-11-14-5-4-12(2)10-14/h12-14H,3-11H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyDOWUMTSEALCSNI-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-6-[(3-methylcyclopentyl)carbamoylamino]hexanoic acid
CID 114548725
4-ethyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 114424091
6-(2-chloroprop-2-enylcarbamoylamino)-4-ethylhexanoic acid
CID 113464801
(2S)-2-hydroxy-4-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 114007496
6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid
CID 114457173
(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 107414492
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486
2-[(3-methylcyclopentyl)methylamino]acetic acid
CID 107412592
2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid
CID 107414533
1-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 107414720
2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 106110630
2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107414476

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(3-methylcyclopentyl)methylcarbamoylamino]hexanoic acid?
The IUPAC name of 4-ethyl-6-[(3-methylcyclopentyl)methylcarbamoylamino]hexanoic acid (CID 107414639) is 4-ethyl-6-[(3-methylcyclopentyl)methylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 4-ethyl-6-[(3-methylcyclopentyl)methylcarbamoylamino]hexanoic acid?
The canonical SMILES for 4-ethyl-6-[(3-methylcyclopentyl)methylcarbamoylamino]hexanoic acid is CCC(CCNC(=O)NCC1CCC(C)C1)CCC(=O)O.
What is the InChIKey of 4-ethyl-6-[(3-methylcyclopentyl)methylcarbamoylamino]hexanoic acid?
The InChIKey is DOWUMTSEALCSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-13(6-7-15(19)20)8-9-17-16(21)18-11-14-5-4-12(2)10-14/h12-14H,3-11H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-ethyl-6-[(3-methylcyclopentyl)methylcarbamoylamino]hexanoic acid?
4-ethyl-6-[(3-methylcyclopentyl)methylcarbamoylamino]hexanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.00, 9 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)methylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 107414639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).