1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 43351064

IUPAC1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)C(=O)NCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H22N2O4/c1-12(2,3)10(17)14-8-9(16)15-13(11(18)19)6-4-5-7-13/h4-8H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyGXLJUHMIAQGXOJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.66
Rot. Bonds4

About 1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 43351064) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID43351064
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)C(=O)NCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H22N2O4/c1-12(2,3)10(17)14-8-9(16)15-13(11(18)19)6-4-5-7-13/h4-8H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyGXLJUHMIAQGXOJ-UHFFFAOYSA-N
XLogP0.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119566804
1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538570
N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 80711591
1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 64676761
1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid
CID 61199319
1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176363
1-[(4,4,4-trifluoro-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 120666261
1-[(2-tert-butylsulfonylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120512776
1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64609550
1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid
CID 65292395
1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 43358914
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid (CID 43351064) is 1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid is CC(C)(C)C(=O)NCC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is GXLJUHMIAQGXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-12(2,3)10(17)14-8-9(16)15-13(11(18)19)6-4-5-7-13/h4-8H2,1-3H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).