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

C15H29N3O3 — CID 83113825

IUPAC2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CNC(=O)NCC1(N(C)C)CCCC1)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-5-14(2,12(19)20)10-16-13(21)17-11-15(18(3)4)8-6-7-9-15/h5-11H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyQBGNAVSILYMWCM-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.66
Rot. Bonds7

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

2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid (PubChem CID 83113825) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid
PubChem CID83113825
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CNC(=O)NCC1(N(C)C)CCCC1)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-5-14(2,12(19)20)10-16-13(21)17-11-15(18(3)4)8-6-7-9-15/h5-11H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyQBGNAVSILYMWCM-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid
CID 83121021
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 105419531
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83121587
4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid
CID 83107807
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethylpropanamide
CID 105420633
2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 83113826
4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid
CID 83114202
N-[[1-(dimethylamino)cyclopropyl]methyl]-2,2-dimethylpropanamide
CID 155951770
1-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]cyclobutane-1-carboxamide
CID 83111018
3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea
CID 113223972
5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933876
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid
CID 83120548

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid?
The IUPAC name of 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid (CID 83113825) is 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid?
The canonical SMILES for 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid is CCC(C)(CNC(=O)NCC1(N(C)C)CCCC1)C(=O)O.
What is the InChIKey of 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid?
The InChIKey is QBGNAVSILYMWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-5-14(2,12(19)20)10-16-13(21)17-11-15(18(3)4)8-6-7-9-15/h5-11H2,1-4H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid?
2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.66, 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]-2-methylbutanoic acid is sourced from PubChem (CID 83113825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).