2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid

C11H19N3O5 — CID 114114263

IUPAC2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid
SMILESCC1(NC(=O)N(CC(N)=O)CC(=O)O)CCCOC1
InChIInChI=1S/C11H19N3O5/c1-11(3-2-4-19-7-11)13-10(18)14(5-8(12)15)6-9(16)17/h2-7H2,1H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyVWKOJWBJYBCRAG-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.86
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid (PubChem CID 114114263) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid
PubChem CID114114263
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid
SMILESCC1(NC(=O)N(CC(N)=O)CC(=O)O)CCCOC1
InChIInChI=1S/C11H19N3O5/c1-11(3-2-4-19-7-11)13-10(18)14(5-8(12)15)6-9(16)17/h2-7H2,1H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyVWKOJWBJYBCRAG-UHFFFAOYSA-N
XLogP-0.86
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid
CID 114114298
(3-methyloxan-3-yl)urea
CID 103895709
2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid
CID 64686451
3-[tert-butyl-[(3-methyloxolan-3-yl)carbamoyl]amino]propanoic acid
CID 113482234
2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide
CID 103899257
2,2-dimethyl-3-[(3-methyloxan-3-yl)carbamoylamino]propanoic acid
CID 114114304
1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 114114284
4-[(3-methyloxan-3-yl)carbamoyl]benzoic acid
CID 114114464
N-(3-methyloxan-3-yl)-2-propan-2-yloxyacetamide
CID 103896995
2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114113509
N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944930
2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid
CID 107438020

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid (CID 114114263) is 2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid is CC1(NC(=O)N(CC(N)=O)CC(=O)O)CCCOC1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is VWKOJWBJYBCRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-11(3-2-4-19-7-11)13-10(18)14(5-8(12)15)6-9(16)17/h2-7H2,1H3,(H2,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 273.29 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 114114263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).