2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid

C9H16N2O4 — CID 103133662

IUPAC2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid
SMILESCC1CCC(CNC(=O)NCC(=O)O)O1
InChIInChI=1S/C9H16N2O4/c1-6-2-3-7(15-6)4-10-9(14)11-5-8(12)13/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyQXTULIVBLXQOFA-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.06
Rot. Bonds4

About 2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid

2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid (PubChem CID 103133662) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid
PubChem CID103133662
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid
SMILESCC1CCC(CNC(=O)NCC(=O)O)O1
InChIInChI=1S/C9H16N2O4/c1-6-2-3-7(15-6)4-10-9(14)11-5-8(12)13/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyQXTULIVBLXQOFA-UHFFFAOYSA-N
XLogP-0.06
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea
CID 130915059
2-methyl-2-[(5-methyloxolan-2-yl)methylcarbamoylamino]butanoic acid
CID 103133669
1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea
CID 130951975
2-fluoro-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propanamide
CID 131187349
3-bromo-N-[(5-methyloxolan-2-yl)methyl]prop-2-ynamide
CID 131059412
N-methyl-2-[(5-methyloxolan-2-yl)methylamino]acetamide
CID 82833793
2-[[2-(oxolan-2-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 61191456
2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 61197830
2-(piperidin-4-ylmethylcarbamoylamino)acetic acid
CID 117234705
1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one
CID 45085675
2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid
CID 103134385
5-[(2-ethylsulfinylethylcarbamoylamino)methyl]oxolane-2-carboxylic acid
CID 113495133

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid?
The IUPAC name of 2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid (CID 103133662) is 2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid is CC1CCC(CNC(=O)NCC(=O)O)O1.
What is the InChIKey of 2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid?
The InChIKey is QXTULIVBLXQOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6-2-3-7(15-6)4-10-9(14)11-5-8(12)13/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid?
2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid has a molecular weight of 216.24 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid is sourced from PubChem (CID 103133662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).