6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid

C17H31NO3 — CID 114457173

IUPAC6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid
SMILESCCC(CCNC(=O)CC1CCCCCC1)CCC(=O)O
InChIInChI=1S/C17H31NO3/c1-2-14(9-10-17(20)21)11-12-18-16(19)13-15-7-5-3-4-6-8-15/h14-15H,2-13H2,1H3,(H,18,19)(H,20,21)
InChIKeyBYZDAERYCKCBMT-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.74
Rot. Bonds9

About 6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid

6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid (PubChem CID 114457173) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid.

Molecular Properties

Compound Name6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid
PubChem CID114457173
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid
SMILESCCC(CCNC(=O)CC1CCCCCC1)CCC(=O)O
InChIInChI=1S/C17H31NO3/c1-2-14(9-10-17(20)21)11-12-18-16(19)13-15-7-5-3-4-6-8-15/h14-15H,2-13H2,1H3,(H,18,19)(H,20,21)
InChIKeyBYZDAERYCKCBMT-UHFFFAOYSA-N
XLogP3.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide
CID 114317695
3-[(2-cyclopentylacetyl)amino]-N-propylpropanamide
CID 167068164
4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid
CID 104914026
4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid
CID 65157479
3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
CID 110837529
4-ethyl-6-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]hexanoic acid
CID 79261708
4-methyl-6-[[2-(thian-4-yl)acetyl]amino]hexanoic acid
CID 83145581
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
CID 104928841
4-ethyl-6-[(3-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107414639
2-cyclohexyl-N-octylacetamide
CID 3547359
2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432481

Frequently Asked Questions

What is the IUPAC name of 6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid?
The IUPAC name of 6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid (CID 114457173) is 6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid.
What is the SMILES notation for 6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid?
The canonical SMILES for 6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid is CCC(CCNC(=O)CC1CCCCCC1)CCC(=O)O.
What is the InChIKey of 6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid?
The InChIKey is BYZDAERYCKCBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-2-14(9-10-17(20)21)11-12-18-16(19)13-15-7-5-3-4-6-8-15/h14-15H,2-13H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid?
6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid has a molecular weight of 297.44 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cycloheptylacetyl)amino]-4-ethylhexanoic acid is sourced from PubChem (CID 114457173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).