2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid

C12H24N2O3 — CID 65223613

IUPAC2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid
SMILESCCCC(C)N(C)C(=O)NCC(CC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-7-9(3)14(4)12(17)13-8-10(6-2)11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyIUDQNXSKNKLCSZ-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.93
Rot. Bonds7

About 2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid

2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid (PubChem CID 65223613) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid
PubChem CID65223613
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid
SMILESCCCC(C)N(C)C(=O)NCC(CC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-7-9(3)14(4)12(17)13-8-10(6-2)11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyIUDQNXSKNKLCSZ-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid
CID 112662783
2-methyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]pentanoic acid
CID 104686265
2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65219387
2-[[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]methyl]butanoic acid
CID 65221488
2-[[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]butanoic acid
CID 65223458
2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65222515
2-[[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]methyl]pentanoic acid
CID 79491922
2-[[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]butanoic acid
CID 65226301
2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid
CID 65218183
2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65226283
2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid
CID 65224335
2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65221138

Frequently Asked Questions

What is the IUPAC name of 2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid (CID 65223613) is 2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid is CCCC(C)N(C)C(=O)NCC(CC)C(=O)O.
What is the InChIKey of 2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid?
The InChIKey is IUDQNXSKNKLCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-7-9(3)14(4)12(17)13-8-10(6-2)11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid?
2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65223613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).