4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid

C16H30N2O3 — CID 64686457

IUPAC4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)NC1(C)CCCC1)CCC(=O)O
InChIInChI=1S/C16H30N2O3/c1-3-6-13(7-8-14(19)20)9-12-17-15(21)18-16(2)10-4-5-11-16/h13H,3-12H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyNFVOCNDJEKXPBF-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.29
Rot. Bonds9

About 4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid

4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid (PubChem CID 64686457) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid.

Molecular Properties

Compound Name4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid
PubChem CID64686457
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)NC1(C)CCCC1)CCC(=O)O
InChIInChI=1S/C16H30N2O3/c1-3-6-13(7-8-14(19)20)9-12-17-15(21)18-16(2)10-4-5-11-16/h13H,3-12H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyNFVOCNDJEKXPBF-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid
CID 65459094
4-[2-[2-(carbamoylamino)ethylcarbamoylamino]ethyl]heptanoic acid
CID 83113037
4-[2-(2,2-difluoroethylcarbamoylamino)ethyl]heptanoic acid
CID 113303947
2-[[(1-methylcyclopentyl)carbamoylamino]methyl]pentanoic acid
CID 65223857
7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid
CID 113485787
4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid
CID 64604491
4-[2-[2-(aminomethyl)pentanoylamino]ethyl]heptanoic acid
CID 65228716
4-[2-(but-2-ynoylamino)ethyl]heptanoic acid
CID 107986729
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid
CID 64894801
4-[2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]ethyl]heptanoic acid
CID 102656230
4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid
CID 65157479
4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid
CID 114806279

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid?
The IUPAC name of 4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid (CID 64686457) is 4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid.
What is the SMILES notation for 4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid?
The canonical SMILES for 4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid is CCCC(CCNC(=O)NC1(C)CCCC1)CCC(=O)O.
What is the InChIKey of 4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid?
The InChIKey is NFVOCNDJEKXPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-6-13(7-8-14(19)20)9-12-17-15(21)18-16(2)10-4-5-11-16/h13H,3-12H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid?
4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.29, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid is sourced from PubChem (CID 64686457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).