2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid

C13H23NO3 — CID 114873756

IUPAC2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid
SMILESCCC(C)CC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H23NO3/c1-3-10(2)8-11(15)14-13(9-12(16)17)6-4-5-7-13/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyXQHXIOJVSNVJGW-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.33
Rot. Bonds6

About 2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid

2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid (PubChem CID 114873756) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid
PubChem CID114873756
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid
SMILESCCC(C)CC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H23NO3/c1-3-10(2)8-11(15)14-13(9-12(16)17)6-4-5-7-13/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyXQHXIOJVSNVJGW-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid
CID 81080778
2-[4-(3-methylhexanoylamino)oxan-4-yl]acetic acid
CID 119215184
2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid
CID 64702277
2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701263
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702115
2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid
CID 119217384
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid
CID 64684909
2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid
CID 64684113
2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid
CID 64685103

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid (CID 114873756) is 2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid is CCC(C)CC(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid?
The InChIKey is XQHXIOJVSNVJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-10(2)8-11(15)14-13(9-12(16)17)6-4-5-7-13/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid?
2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid has a molecular weight of 241.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 114873756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).