2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid

C10H18N2O3 — CID 103995921

IUPAC2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid
SMILESCC1CC1CNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-6-4-7(6)5-11-9(15)12-10(2,3)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyQHPGBIGQCFWJOV-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.80
Rot. Bonds4

About 2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid

2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid (PubChem CID 103995921) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid
PubChem CID103995921
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid
SMILESCC1CC1CNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-6-4-7(6)5-11-9(15)12-10(2,3)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyQHPGBIGQCFWJOV-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-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid
CID 62408052
2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid
CID 62385844
2-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 55039191
2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid
CID 61266743
2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 79801680
1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
CID 107417748
3,3-dimethyl-2-[(2-methylcyclopropyl)methylcarbamoyl]butanoic acid
CID 116537477
(2-methylcyclopropyl)methylurea
CID 115582645
4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532050
2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
CID 61481256
2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 24693363
2-methyl-2-[(2-methylcyclobutyl)carbamoylamino]propanoic acid
CID 127019287

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid (CID 103995921) is 2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid is CC1CC1CNC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid?
The InChIKey is QHPGBIGQCFWJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6-4-7(6)5-11-9(15)12-10(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-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid?
2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]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-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 103995921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).