2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid

C15H29N3O3 — CID 83113826

IUPAC2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)NCC1(N(C)C)CCCC1)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-11(2)12(13(19)20)9-16-14(21)17-10-15(18(3)4)7-5-6-8-15/h11-12H,5-10H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyZADOQLJXATXVMF-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.52
Rot. Bonds7

About 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid

2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid (PubChem CID 83113826) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid
PubChem CID83113826
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)NCC1(N(C)C)CCCC1)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-11(2)12(13(19)20)9-16-14(21)17-10-15(18(3)4)7-5-6-8-15/h11-12H,5-10H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyZADOQLJXATXVMF-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid with MolForge

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Related Compounds

2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83121587
3-methyl-2-[[(2-methylthiolan-2-yl)methylcarbamoylamino]methyl]butanoic acid
CID 80744273
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499360
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid
CID 83121021
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid
CID 103160120
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071
(E)-4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-oxobut-2-enoic acid
CID 83121179
2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 78996361
2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid
CID 83113825
2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83114452
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid (CID 83113826) is 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)NCC1(N(C)C)CCCC1)C(=O)O.
What is the InChIKey of 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid?
The InChIKey is ZADOQLJXATXVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-11(2)12(13(19)20)9-16-14(21)17-10-15(18(3)4)7-5-6-8-15/h11-12H,5-10H2,1-4H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid?
2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 83113826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).