2-[(2-cyclopentylacetyl)-methylamino]propanoic acid

C11H19NO3 — CID 62625647

IUPAC2-[(2-cyclopentylacetyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CC1CCCC1
InChIInChI=1S/C11H19NO3/c1-8(11(14)15)12(2)10(13)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyFRESUZCKHLFWHV-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds4

About 2-[(2-cyclopentylacetyl)-methylamino]propanoic acid

2-[(2-cyclopentylacetyl)-methylamino]propanoic acid (PubChem CID 62625647) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(2-cyclopentylacetyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopentylacetyl)-methylamino]propanoic acid
PubChem CID62625647
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[(2-cyclopentylacetyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CC1CCCC1
InChIInChI=1S/C11H19NO3/c1-8(11(14)15)12(2)10(13)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyFRESUZCKHLFWHV-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
CID 62627808
2-[methyl-[2-(thian-4-yl)acetyl]amino]propanoic acid
CID 83145675
2-[[2-(4,4-dimethylcyclohexyl)acetyl]-methylamino]propanoic acid
CID 120520376
2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
CID 110837525
N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide
CID 115737376
2-[[2-(cyclopentylamino)acetyl]-methylamino]propanoic acid
CID 62637271
2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62637388
N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide
CID 55220083
3-[[(1S)-1-carboxyethyl]-methylamino]-3-oxopropanoic acid
CID 121390047
N-(2-amino-1-cyclopropylethyl)-2-cyclopentyl-N-methylacetamide
CID 116651718
N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103161435
2-cyclopentyl-N,N-bis(2-methylpropyl)acetamide
CID 78797313

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylacetyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(2-cyclopentylacetyl)-methylamino]propanoic acid (CID 62625647) is 2-[(2-cyclopentylacetyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-cyclopentylacetyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(2-cyclopentylacetyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)CC1CCCC1.
What is the InChIKey of 2-[(2-cyclopentylacetyl)-methylamino]propanoic acid?
The InChIKey is FRESUZCKHLFWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(11(14)15)12(2)10(13)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-cyclopentylacetyl)-methylamino]propanoic acid?
2-[(2-cyclopentylacetyl)-methylamino]propanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylacetyl)-methylamino]propanoic acid is sourced from PubChem (CID 62625647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).