2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid

C10H18N2O3 — CID 115428743

IUPAC2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid
SMILESCC1CC1NC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-6-4-7(6)12-9(15)11-5-10(2,3)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyDQLLVPUMHGXBTH-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.80
Rot. Bonds4

About 2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid

2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid (PubChem CID 115428743) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid
PubChem CID115428743
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid
SMILESCC1CC1NC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-6-4-7(6)12-9(15)11-5-10(2,3)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyDQLLVPUMHGXBTH-UHFFFAOYSA-N
XLogP0.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]propanoic acid
CID 115428933
2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid
CID 62408052
3-[(2-ethylsulfanylcyclopentyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 114121881
3-[(2,4-dimethylcyclohexyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66175117
1-[(1R,2R)-2-methylcyclopropyl]-3-propylurea
CID 130688362
1-(2-cyclopropylethyl)-3-[(1R,2R)-2-methylcyclopropyl]urea
CID 166248887
2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid
CID 115910003
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
CID 111450609
2,2-dimethyl-3-(2,2,3-trimethylbutylcarbamoylamino)propanoic acid
CID 114101334
2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid
CID 104644381
2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide
CID 95583258
1-amino-3-(2-methylcyclopropyl)urea
CID 62408837

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid (CID 115428743) is 2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid is CC1CC1NC(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid?
The InChIKey is DQLLVPUMHGXBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6-4-7(6)12-9(15)11-5-10(2,3)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid?
2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 115428743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).