2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid

C13H25NO2 — CID 65064339

IUPAC2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(C)C1CCCC1
InChIInChI=1S/C13H25NO2/c1-10(2)8-14(9-13(15)16)11(3)12-6-4-5-7-12/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyKVMDDRBENAEBGY-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.61
Rot. Bonds6

About 2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid

2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid (PubChem CID 65064339) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid
PubChem CID65064339
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(C)C1CCCC1
InChIInChI=1S/C13H25NO2/c1-10(2)8-14(9-13(15)16)11(3)12-6-4-5-7-12/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyKVMDDRBENAEBGY-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426275
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid
CID 79285826
2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 55244223
2-[(3-cyclopentyl-2-methylpropanoyl)-(2-methylpropyl)amino]acetic acid
CID 119192685
2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid
CID 65063808
2-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]acetic acid
CID 55148404
2-[1-cyclopentylethyl(methyl)amino]propanoic acid
CID 65060488
2-[1-cyclopropylethyl(propan-2-yl)amino]acetic acid
CID 65057237
2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60840485
2-[1-(1-adamantyl)ethyl-(2-methylpropyl)amino]acetic acid
CID 65065266

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid (CID 65064339) is 2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(C)C1CCCC1.
What is the InChIKey of 2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid?
The InChIKey is KVMDDRBENAEBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)8-14(9-13(15)16)11(3)12-6-4-5-7-12/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid?
2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid has a molecular weight of 227.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 65064339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).