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

C12H22N2O4 — CID 63708066

IUPAC2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)CC1CCCOC1
InChIInChI=1S/C12H22N2O4/c1-3-14(8-11(15)16)12(17)13(2)7-10-5-4-6-18-9-10/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyONKINGCNZBBCAY-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.87
Rot. Bonds5

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

2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid (PubChem CID 63708066) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid
PubChem CID63708066
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)CC1CCCOC1
InChIInChI=1S/C12H22N2O4/c1-3-14(8-11(15)16)12(17)13(2)7-10-5-4-6-18-9-10/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyONKINGCNZBBCAY-UHFFFAOYSA-N
XLogP0.87
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid
CID 107438771
2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63706388
2-[[cyclopentylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 63655952
2-[[cyclohexylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 61444099
2-[carboxymethyl(oxan-3-ylmethyl)amino]acetic acid
CID 65065307
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
CID 61439375
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837348
ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
CID 63717734

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid (CID 63708066) is 2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)N(C)CC1CCCOC1.
What is the InChIKey of 2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid?
The InChIKey is ONKINGCNZBBCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-14(8-11(15)16)12(17)13(2)7-10-5-4-6-18-9-10/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid?
2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63708066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).