1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H24N2O3 — CID 62975025

IUPAC1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCN(CCNC(=O)CC1(C(=O)O)CCCC1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-16(11-4-5-11)9-8-15-12(17)10-14(13(18)19)6-2-3-7-14/h11H,2-10H2,1H3,(H,15,17)(H,18,19)
InChIKeyPAWSMLBCXBEWOA-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.23
Rot. Bonds7

About 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 62975025) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID62975025
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCN(CCNC(=O)CC1(C(=O)O)CCCC1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-16(11-4-5-11)9-8-15-12(17)10-14(13(18)19)6-2-3-7-14/h11H,2-10H2,1H3,(H,15,17)(H,18,19)
InChIKeyPAWSMLBCXBEWOA-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62975203
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 62641943
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62642132
2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 79854308
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016
1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106334798
1-[2-(butylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529487
1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529498
1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119878774

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 62975025) is 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CN(CCNC(=O)CC1(C(=O)O)CCCC1)C1CC1.
What is the InChIKey of 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is PAWSMLBCXBEWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-16(11-4-5-11)9-8-15-12(17)10-14(13(18)19)6-2-3-7-14/h11H,2-10H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62975025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).