2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid

C12H22N2O3 — CID 65223235

IUPAC2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)N(C)CC1CC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)10(11(15)16)6-13-12(17)14(3)7-9-4-5-9/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyCQSGKKCQMLUYNS-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.39
Rot. Bonds6

About 2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid

2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid (PubChem CID 65223235) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
PubChem CID65223235
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)N(C)CC1CC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)10(11(15)16)6-13-12(17)14(3)7-9-4-5-9/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyCQSGKKCQMLUYNS-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid (CID 65223235) is 2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)N(C)CC1CC1)C(=O)O.
What is the InChIKey of 2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid?
The InChIKey is CQSGKKCQMLUYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)10(11(15)16)6-13-12(17)14(3)7-9-4-5-9/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid?
2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65223235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).