2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid

C11H22N2O3 — CID 65219387

IUPAC2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid
SMILESCCCCN(C)C(=O)NCC(CC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-7-13(3)11(16)12-8-9(5-2)10(14)15/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyNGGVOIDFBNIEED-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.54
Rot. Bonds7

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

2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid (PubChem CID 65219387) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid
PubChem CID65219387
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid
SMILESCCCCN(C)C(=O)NCC(CC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-7-13(3)11(16)12-8-9(5-2)10(14)15/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyNGGVOIDFBNIEED-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[butyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66166113
2-[[[methyl(3-methylsulfanylpropyl)carbamoyl]amino]methyl]pentanoic acid
CID 114237789
2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65226283
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(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid
CID 65223613
2-[[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]methyl]butanoic acid
CID 65221488
4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid
CID 107817325
2-[[butyl(methyl)carbamoyl]amino]acetic acid
CID 28507820
2-[[butyl(methyl)carbamoyl]amino]pentanoic acid
CID 61184623
2-[(2-ethylhexanoylamino)methyl]pentanoic acid
CID 65218605
2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid
CID 65218183

Frequently Asked Questions

What is the IUPAC name of 2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid (CID 65219387) is 2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid is CCCCN(C)C(=O)NCC(CC)C(=O)O.
What is the InChIKey of 2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid?
The InChIKey is NGGVOIDFBNIEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-6-7-13(3)11(16)12-8-9(5-2)10(14)15/h9H,4-8H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid?
2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65219387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).