3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid

C13H26N2O3 — CID 81069215

IUPAC3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N(C)CC(C)(C)C)CC(=O)O
InChIInChI=1S/C13H26N2O3/c1-6-10(7-11(16)17)8-14-12(18)15(5)9-13(2,3)4/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyPKDZBZGMRFNEDY-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.17
Rot. Bonds6

About 3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid

3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid (PubChem CID 81069215) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid
PubChem CID81069215
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N(C)CC(C)(C)C)CC(=O)O
InChIInChI=1S/C13H26N2O3/c1-6-10(7-11(16)17)8-14-12(18)15(5)9-13(2,3)4/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyPKDZBZGMRFNEDY-UHFFFAOYSA-N
XLogP2.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65222515
3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid
CID 81072974
3-[[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]pentanoic acid
CID 81069933
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 81066904
3-[[2-(dimethylamino)propylcarbamoylamino]methyl]pentanoic acid
CID 81069957
3-[[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069024
3-[[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]methyl]pentanoic acid
CID 81069894
3-[[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069076
3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069543
3-[[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]pentanoic acid
CID 81066467
3-[[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid
CID 81069269
3-[[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81068551

Frequently Asked Questions

What is the IUPAC name of 3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid (CID 81069215) is 3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid is CCC(CNC(=O)N(C)CC(C)(C)C)CC(=O)O.
What is the InChIKey of 3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid?
The InChIKey is PKDZBZGMRFNEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-10(7-11(16)17)8-14-12(18)15(5)9-13(2,3)4/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17).
What are the key properties of 3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid?
3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 81069215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).