2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid

C12H20N2O3 — CID 55257507

IUPAC2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid
SMILESCC1CC1CN(C)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H20N2O3/c1-7-5-9(7)6-14(2)12(17)13-10(11(15)16)8-3-4-8/h7-10H,3-6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyCSZIKMMYCGIGCI-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.15
Rot. Bonds5

About 2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid

2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid (PubChem CID 55257507) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid
PubChem CID55257507
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid
SMILESCC1CC1CN(C)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H20N2O3/c1-7-5-9(7)6-14(2)12(17)13-10(11(15)16)8-3-4-8/h7-10H,3-6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyCSZIKMMYCGIGCI-UHFFFAOYSA-N
XLogP1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
CID 63859003
2-cyclopropyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63235139
2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]pentanedioic acid
CID 63859361
2-cyclopropyl-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]acetic acid
CID 114950871
2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid
CID 62710183
2-cyclopropyl-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 106917371
2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61195307
2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 62711742
(Z)-2,3-dimethyl-4-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-4-oxobut-2-enoic acid
CID 55256557
2-cyclopropyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]acetic acid
CID 55107585
N-methyl-N-[(2-methylcyclopropyl)methyl]acetamide
CID 64592009
2-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]propanoic acid
CID 63859352

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid (CID 55257507) is 2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid is CC1CC1CN(C)C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid?
The InChIKey is CSZIKMMYCGIGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-7-5-9(7)6-14(2)12(17)13-10(11(15)16)8-3-4-8/h7-10H,3-6H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid?
2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 55257507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).