2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid

C11H18N2O3 — CID 62711233

IUPAC2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid
SMILESCC1(C)CC1NC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H18N2O3/c1-11(2)5-7(11)12-10(16)13-8(9(14)15)6-3-4-6/h6-8H,3-5H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyLOHZJDWCVVIJLX-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.95
Rot. Bonds4

About 2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid

2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid (PubChem CID 62711233) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid
PubChem CID62711233
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid
SMILESCC1(C)CC1NC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H18N2O3/c1-11(2)5-7(11)12-10(16)13-8(9(14)15)6-3-4-6/h6-8H,3-5H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyLOHZJDWCVVIJLX-UHFFFAOYSA-N
XLogP0.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid
CID 82003269
(2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755976
2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid
CID 62695953
2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid
CID 62710878
2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
CID 83017392
2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid
CID 61199364
methyl 2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)amino]acetate
CID 103244098
2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid
CID 113364251
2-cyclopropyl-2-[(1-ethylcyclopentyl)methylcarbamoylamino]acetic acid
CID 114126135
2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
CID 62695644
5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid
CID 62964927
2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816939

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid (CID 62711233) is 2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid is CC1(C)CC1NC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid?
The InChIKey is LOHZJDWCVVIJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(2)5-7(11)12-10(16)13-8(9(14)15)6-3-4-6/h6-8H,3-5H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid?
2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid has a molecular weight of 226.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)carbamoylamino]acetic acid is sourced from PubChem (CID 62711233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).