(2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid

C11H15NO4 — CID 102945764

IUPAC(2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid
SMILESCC#CCCNC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H15NO4/c1-2-3-4-7-12-10(13)8-5-6-9(16-8)11(14)15/h8-9H,4-7H2,1H3,(H,12,13)(H,14,15)/t8-,9+/m0/s1
InChIKeyPLFGRHRTYNFQKM-DTWKUNHWSA-N
MW225.24 g/mol
LogP0.15
Rot. Bonds4

About (2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid

(2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102945764) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102945764
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid
SMILESCC#CCCNC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H15NO4/c1-2-3-4-7-12-10(13)8-5-6-9(16-8)11(14)15/h8-9H,4-7H2,1H3,(H,12,13)(H,14,15)/t8-,9+/m0/s1
InChIKeyPLFGRHRTYNFQKM-DTWKUNHWSA-N
XLogP0.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5S)-5-(but-2-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945677
(2R,5S)-5-(but-3-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945299
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
N-pent-3-ynylcyclohexanecarboxamide
CID 115977262
5-(cyanomethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688288
5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688875
5-(2-methylsulfinylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688981
5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102687669
(2R,5S)-5-(6-hydroxyhexylcarbamoyl)oxolane-2-carboxylic acid
CID 107846499
5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid
CID 102687639
5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688459
5-[(4-methoxy-4-oxobutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688062

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid (CID 102945764) is (2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid is CC#CCCNC(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is PLFGRHRTYNFQKM-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-3-4-7-12-10(13)8-5-6-9(16-8)11(14)15/h8-9H,4-7H2,1H3,(H,12,13)(H,14,15)/t8-,9+/m0/s1.
What are the key properties of (2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102945764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).