2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid

C13H22N2O3 — CID 54957297

IUPAC2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCN(C(=O)CN(CC(=O)O)C1CCCC1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-14(10-6-7-10)12(16)8-15(9-13(17)18)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyFIKSKHOOWPHPDL-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.94
Rot. Bonds6

About 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid

2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 54957297) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID54957297
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCN(C(=O)CN(CC(=O)O)C1CCCC1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-14(10-6-7-10)12(16)8-15(9-13(17)18)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyFIKSKHOOWPHPDL-UHFFFAOYSA-N
XLogP0.94
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 80710059
N-cyclohexyl-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 60774513
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 61489399
2-[cyclobutyl(2-hydroxyethyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102676811
2-[cyclobutyl(3-hydroxypropyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102848635
2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60833811
2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 54945400
2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63066641
2-[cyclopentyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetic acid
CID 60834611
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 79269392
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 61488998
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid (CID 54957297) is 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid is CN(C(=O)CN(CC(=O)O)C1CCCC1)C1CC1.
What is the InChIKey of 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is FIKSKHOOWPHPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-14(10-6-7-10)12(16)8-15(9-13(17)18)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid?
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 54957297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).