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

C14H27N3O3 — CID 83121021

IUPAC2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)NCC1(N(C)C)CCCC1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-5-13(2,11(18)19)16-12(20)15-10-14(17(3)4)8-6-7-9-14/h5-10H2,1-4H3,(H,18,19)(H2,15,16,20)
InChIKeyGMAGQOMAJKBSJY-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.41
Rot. Bonds6

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

2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid (PubChem CID 83121021) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid
PubChem CID83121021
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)NCC1(N(C)C)CCCC1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-5-13(2,11(18)19)16-12(20)15-10-14(17(3)4)8-6-7-9-14/h5-10H2,1-4H3,(H,18,19)(H2,15,16,20)
InChIKeyGMAGQOMAJKBSJY-UHFFFAOYSA-N
XLogP1.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-2-methylbutanoic acid
CID 83113825
4-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-methylpentanoic acid
CID 83114202
4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid
CID 83107807
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83121587
2-[[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 83113826
(2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid
CID 107146456
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethylpropanamide
CID 105420633
(2S)-4-amino-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-4-oxobutanoic acid
CID 83113497
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 83121707
3-[[1-(dimethylamino)cyclopentyl]methyl]-1,1-diethylurea
CID 113223972
2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2-methylbutanoic acid
CID 79798346

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid (CID 83121021) is 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid is CCC(C)(NC(=O)NCC1(N(C)C)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid?
The InChIKey is GMAGQOMAJKBSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-13(2,11(18)19)16-12(20)15-10-14(17(3)4)8-6-7-9-14/h5-10H2,1-4H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid?
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.41, 6 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]-2-methylbutanoic acid is sourced from PubChem (CID 83121021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).