4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid

C15H29N3O3 — CID 83114202

IUPAC4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid
SMILESCN(C)C1(CNC(=O)NC(C)(C)CCC(=O)O)CCCC1
InChIInChI=1S/C15H29N3O3/c1-14(2,10-7-12(19)20)17-13(21)16-11-15(18(3)4)8-5-6-9-15/h5-11H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyRMVHIZSURAKTAD-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.80
Rot. Bonds7

About 4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid

4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid (PubChem CID 83114202) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid
PubChem CID83114202
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid
SMILESCN(C)C1(CNC(=O)NC(C)(C)CCC(=O)O)CCCC1
InChIInChI=1S/C15H29N3O3/c1-14(2,10-7-12(19)20)17-13(21)16-11-15(18(3)4)8-5-6-9-15/h5-11H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyRMVHIZSURAKTAD-UHFFFAOYSA-N
XLogP1.80
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid
CID 83121021
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83121587
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid
CID 83120548
4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
CID 62049449
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanedioic acid
CID 105419575
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933876
2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid
CID 83113825
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 105419531
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethylpropanamide
CID 105420633
3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid
CID 105416372

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid (CID 83114202) is 4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid is CN(C)C1(CNC(=O)NC(C)(C)CCC(=O)O)CCCC1.
What is the InChIKey of 4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid?
The InChIKey is RMVHIZSURAKTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-14(2,10-7-12(19)20)17-13(21)16-11-15(18(3)4)8-5-6-9-15/h5-11H2,1-4H3,(H,19,20)(H2,16,17,21).
What are the key properties of 4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid?
4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 83114202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).