3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid

C13H25N3O3 — CID 66032824

IUPAC3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(CCN(C)C)NC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H25N3O3/c1-9(6-7-16(2)3)14-13(19)15-11-5-4-10(8-11)12(17)18/h9-11H,4-8H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyZMMDHCJSQRJBEQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.88
Rot. Bonds6

About 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid

3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 66032824) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID66032824
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(CCN(C)C)NC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H25N3O3/c1-9(6-7-16(2)3)14-13(19)15-11-5-4-10(8-11)12(17)18/h9-11H,4-8H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyZMMDHCJSQRJBEQ-UHFFFAOYSA-N
XLogP0.88
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319618
cis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173067
cis-(1R,3S)-3-(1-ethylsulfanylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173670
cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173004
3-(4-methylsulfanylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113477952
4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 55115402
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102907107
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
CID 78998355
3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 104552932
cis-(1S,3R)-3-[(2-ethylsulfanyl-3-methylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 120675185

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 66032824) is 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid is CC(CCN(C)C)NC(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is ZMMDHCJSQRJBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9(6-7-16(2)3)14-13(19)15-11-5-4-10(8-11)12(17)18/h9-11H,4-8H2,1-3H3,(H,17,18)(H2,14,15,19).
What are the key properties of 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid?
3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).