5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid

C15H29N3O3 — CID 82013028

IUPAC5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C15H29N3O3/c1-12(7-8-14(19)20)11-17-15(21)16-9-10-18(2)13-5-3-4-6-13/h12-13H,3-11H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyXZGVDTBPTCWKLK-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.66
Rot. Bonds9

About 5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid

5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid (PubChem CID 82013028) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
PubChem CID82013028
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C15H29N3O3/c1-12(7-8-14(19)20)11-17-15(21)16-9-10-18(2)13-5-3-4-6-13/h12-13H,3-11H2,1-2H3,(H,19,20)(H2,16,17,21)
InChIKeyXZGVDTBPTCWKLK-UHFFFAOYSA-N
XLogP1.66
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 107839935
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122001001
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243
(2S)-2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-3-methylbutanoic acid
CID 63316795
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid
CID 63317939
(2S,3R)-2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 104966266
5-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoic acid
CID 82689190
4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 82014412
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid
CID 63316974
5-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpentanamide
CID 113441005

Frequently Asked Questions

What is the IUPAC name of 5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid (CID 82013028) is 5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)NCCN(C)C1CCCC1.
What is the InChIKey of 5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid?
The InChIKey is XZGVDTBPTCWKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-12(7-8-14(19)20)11-17-15(21)16-9-10-18(2)13-5-3-4-6-13/h12-13H,3-11H2,1-2H3,(H,19,20)(H2,16,17,21).
What are the key properties of 5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid?
5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.66, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 82013028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).