2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid

C9H16N2O4 — CID 43611566

IUPAC2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid
SMILESCN(C(=O)NCC(=O)O)C1CCOCC1
InChIInChI=1S/C9H16N2O4/c1-11(7-2-4-15-5-3-7)9(14)10-6-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyNBKVCCDUPZYOPO-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.11
Rot. Bonds3

About 2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid

2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid (PubChem CID 43611566) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid
PubChem CID43611566
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid
SMILESCN(C(=O)NCC(=O)O)C1CCOCC1
InChIInChI=1S/C9H16N2O4/c1-11(7-2-4-15-5-3-7)9(14)10-6-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyNBKVCCDUPZYOPO-UHFFFAOYSA-N
XLogP-0.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-(oxan-4-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115668200
1-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451281
3-benzyl-1-methyl-1-(oxan-4-yl)urea
CID 103717227
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea
CID 108912761
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid
CID 43649063
2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid
CID 61199681
4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61203490
(2R)-3-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]butanoic acid
CID 79010218
2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid
CID 61203496
3-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]benzoic acid
CID 61202979
1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea
CID 71866432

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid (CID 43611566) is 2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid is CN(C(=O)NCC(=O)O)C1CCOCC1.
What is the InChIKey of 2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid?
The InChIKey is NBKVCCDUPZYOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-11(7-2-4-15-5-3-7)9(14)10-6-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid?
2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid has a molecular weight of 216.24 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 43611566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).