1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid

C14H27N3O3 — CID 61478777

IUPAC1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)C(CN(C)C)NC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H27N3O3/c1-10(2)11(9-17(3)4)15-13(20)16-14(12(18)19)7-5-6-8-14/h10-11H,5-9H2,1-4H3,(H,18,19)(H2,15,16,20)
InChIKeyUFWPZVZRLZGLSH-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.27
Rot. Bonds6

About 1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid

1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 61478777) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID61478777
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)C(CN(C)C)NC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H27N3O3/c1-10(2)11(9-17(3)4)15-13(20)16-14(12(18)19)7-5-6-8-14/h10-11H,5-9H2,1-4H3,(H,18,19)(H2,15,16,20)
InChIKeyUFWPZVZRLZGLSH-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid (CID 61478777) is 1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid is CC(C)C(CN(C)C)NC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is UFWPZVZRLZGLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-10(2)11(9-17(3)4)15-13(20)16-14(12(18)19)7-5-6-8-14/h10-11H,5-9H2,1-4H3,(H,18,19)(H2,15,16,20).
What are the key properties of 1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid?
1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61478777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).