2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid

C14H26N2O4 — CID 63706388

IUPAC2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)N(C)CC1CCCOC1
InChIInChI=1S/C14H26N2O4/c1-11(2)7-16(9-13(17)18)14(19)15(3)8-12-5-4-6-20-10-12/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyQGNVMZGFSQIEOQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.51
Rot. Bonds6

About 2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid

2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63706388) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
PubChem CID63706388
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)N(C)CC1CCCOC1
InChIInChI=1S/C14H26N2O4/c1-11(2)7-16(9-13(17)18)14(19)15(3)8-12-5-4-6-20-10-12/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyQGNVMZGFSQIEOQ-UHFFFAOYSA-N
XLogP1.51
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid
CID 63708066
2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid
CID 107438771
2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid
CID 65065307
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate
CID 116656071
2-methoxy-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 115618168
2-[[cyclopentylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 63655952
2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 61444099
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
2-methyl-4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 80541148
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid (CID 63706388) is 2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)N(C)CC1CCCOC1.
What is the InChIKey of 2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is QGNVMZGFSQIEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11(2)7-16(9-13(17)18)14(19)15(3)8-12-5-4-6-20-10-12/h11-12H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 286.37 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63706388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).