4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid

C13H25NO2 — CID 65058593

IUPAC4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid
SMILESCC1CCCC1N(CCCC(=O)O)C(C)C
InChIInChI=1S/C13H25NO2/c1-10(2)14(9-5-8-13(15)16)12-7-4-6-11(12)3/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyFKVVLCQIMQLYRH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.75
Rot. Bonds6

About 4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid

4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid (PubChem CID 65058593) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid
PubChem CID65058593
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid
SMILESCC1CCCC1N(CCCC(=O)O)C(C)C
InChIInChI=1S/C13H25NO2/c1-10(2)14(9-5-8-13(15)16)12-7-4-6-11(12)3/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyFKVVLCQIMQLYRH-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid (CID 65058593) is 4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid is CC1CCCC1N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid?
The InChIKey is FKVVLCQIMQLYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)14(9-5-8-13(15)16)12-7-4-6-11(12)3/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid?
4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 65058593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).