1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid

C12H21N3O4 — CID 106279269

IUPAC1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)(CNC(=O)NC1(C(=O)O)CCCC1)C(N)=O
InChIInChI=1S/C12H21N3O4/c1-11(2,8(13)16)7-14-10(19)15-12(9(17)18)5-3-4-6-12/h3-7H2,1-2H3,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeyJJAIPFSEKBOSCX-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.19
Rot. Bonds5

About 1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid

1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106279269) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106279269
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)(CNC(=O)NC1(C(=O)O)CCCC1)C(N)=O
InChIInChI=1S/C12H21N3O4/c1-11(2,8(13)16)7-14-10(19)15-12(9(17)18)5-3-4-6-12/h3-7H2,1-2H3,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeyJJAIPFSEKBOSCX-UHFFFAOYSA-N
XLogP0.19
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463181
1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163246
1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114943563
1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 103463422
1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163265
1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61402688
1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 24699063
1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65463687
1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 113464039
1-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cycloheptane-1-carboxylic acid
CID 61199319
2,2-dimethyl-3-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
CID 115428682
3-[[2-(1-hydroxycyclohexyl)acetyl]amino]-2,2-dimethylpropanamide
CID 111331912

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 106279269) is 1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid is CC(C)(CNC(=O)NC1(C(=O)O)CCCC1)C(N)=O.
What is the InChIKey of 1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is JJAIPFSEKBOSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-11(2,8(13)16)7-14-10(19)15-12(9(17)18)5-3-4-6-12/h3-7H2,1-2H3,(H2,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 0.19, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106279269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).