2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid

C13H21N3O2 — CID 103004720

IUPAC2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
SMILESCn1nccc1CCN(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H21N3O2/c1-15-11(6-8-14-15)7-9-16(10-13(17)18)12-4-2-3-5-12/h6,8,12H,2-5,7,9-10H2,1H3,(H,17,18)
InChIKeyWLPKWLBRZWAKGP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.29
Rot. Bonds6

About 2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid

2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid (PubChem CID 103004720) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
PubChem CID103004720
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
SMILESCn1nccc1CCN(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H21N3O2/c1-15-11(6-8-14-15)7-9-16(10-13(17)18)12-4-2-3-5-12/h6,8,12H,2-5,7,9-10H2,1H3,(H,17,18)
InChIKeyWLPKWLBRZWAKGP-UHFFFAOYSA-N
XLogP1.29
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 103014031
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004737
2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid
CID 60892049
2-[butan-2-yl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004732
N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine
CID 103005268
4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one
CID 103002707
1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103024333
2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 19616909
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid
CID 103004893
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 104693313
2-[cyclopentyl-[3-(methylamino)-3-oxopropyl]amino]acetic acid
CID 62324293

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid (CID 103004720) is 2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid is Cn1nccc1CCN(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid?
The InChIKey is WLPKWLBRZWAKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15-11(6-8-14-15)7-9-16(10-13(17)18)12-4-2-3-5-12/h6,8,12H,2-5,7,9-10H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid?
2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 103004720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).