3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid

C12H22N2O3 — CID 62670304

IUPAC3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)N(CC1CC1)C(C)C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)14(7-10-4-5-10)12(17)13-6-9(3)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyXALXGTIBDUXNAU-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.54
Rot. Bonds6

About 3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid

3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62670304) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62670304
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)N(CC1CC1)C(C)C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)14(7-10-4-5-10)12(17)13-6-9(3)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyXALXGTIBDUXNAU-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid (CID 62670304) is 3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid is CC(CNC(=O)N(CC1CC1)C(C)C)C(=O)O.
What is the InChIKey of 3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is XALXGTIBDUXNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)14(7-10-4-5-10)12(17)13-6-9(3)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62670304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).