2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C15H25NO3 — CID 63956962

IUPAC2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCN(CC1CC1)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H25NO3/c1-2-16(11-12-5-6-12)13(17)9-15(10-14(18)19)7-3-4-8-15/h12H,2-11H2,1H3,(H,18,19)
InChIKeyJUPVJKAUVIOSFI-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.67
Rot. Bonds7

About 2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 63956962) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID63956962
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCN(CC1CC1)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H25NO3/c1-2-16(11-12-5-6-12)13(17)9-15(10-14(18)19)7-3-4-8-15/h12H,2-11H2,1H3,(H,18,19)
InChIKeyJUPVJKAUVIOSFI-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804933
2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071684
2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43235018
2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071131
2-[1-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 60662255
2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804931
2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61070380
N,N-bis(cyclopropylmethyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111538805
2-[1-[2-[bis(cyanomethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43235041
5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 63955131
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
2-[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopropyl]acetic acid
CID 65497799

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 63956962) is 2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is CCN(CC1CC1)C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is JUPVJKAUVIOSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-16(11-12-5-6-12)13(17)9-15(10-14(18)19)7-3-4-8-15/h12H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 267.37 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 63956962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).