5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid

C11H20N2O4 — CID 82728125

IUPAC5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid
SMILESCC1OCCC1NC(=O)NCCCCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-8-9(5-7-17-8)13-11(16)12-6-3-2-4-10(14)15/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyRIZRMXCCYMFIID-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.72
Rot. Bonds6

About 5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid

5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid (PubChem CID 82728125) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid
PubChem CID82728125
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid
SMILESCC1OCCC1NC(=O)NCCCCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-8-9(5-7-17-8)13-11(16)12-6-3-2-4-10(14)15/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyRIZRMXCCYMFIID-UHFFFAOYSA-N
XLogP0.72
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid
CID 82728122
5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732933
6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid
CID 61468058
2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid
CID 82727899
5-[(3,4-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64744106
3-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]pentanoic acid
CID 82728333
4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 82728453
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
4-[[(2S,3R)-2-ethenyloxan-3-yl]carbamoylamino]butanoic acid
CID 122016567
7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid
CID 120524056
N-(2-methyloxolan-3-yl)decanamide
CID 146252174
3-[ethyl-[(2-methyloxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82727894

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid (CID 82728125) is 5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid is CC1OCCC1NC(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is RIZRMXCCYMFIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8-9(5-7-17-8)13-11(16)12-6-3-2-4-10(14)15/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid?
5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyloxolan-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 82728125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).