2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid

C12H24N2O3 — CID 65222515

IUPAC2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N(C)CC(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-9(10(15)16)7-13-11(17)14(5)8-12(2,3)4/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyODHULZPMNYQLDB-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.78
Rot. Bonds5

About 2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid

2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid (PubChem CID 65222515) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid
PubChem CID65222515
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N(C)CC(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-6-9(10(15)16)7-13-11(17)14(5)8-12(2,3)4/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyODHULZPMNYQLDB-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069215
2-[[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]butanoic acid
CID 65223458
2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65219387
2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid
CID 65223613
2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid
CID 65218183
1,3-bis(2,2-dimethylpropyl)-1-methylurea
CID 110669430
2-[[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]methyl]butanoic acid
CID 65218795
2-[[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]methyl]butanoic acid
CID 65221488
2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65226283
2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid
CID 112662783
2-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65223341
4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid
CID 107474565

Frequently Asked Questions

What is the IUPAC name of 2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid (CID 65222515) is 2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid is CCC(CNC(=O)N(C)CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid?
The InChIKey is ODHULZPMNYQLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-9(10(15)16)7-13-11(17)14(5)8-12(2,3)4/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid?
2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65222515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).