3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid

C8H13NO4 — CID 125424994

IUPAC3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid
SMILESNC(=O)[C@@H]1CC[C@H](CCC(=O)O)O1
InChIInChI=1S/C8H13NO4/c9-8(12)6-3-1-5(13-6)2-4-7(10)11/h5-6H,1-4H2,(H2,9,12)(H,10,11)/t5-,6+/m1/s1
InChIKeyNSNWDMQNPRWUBQ-RITPCOANSA-N
MW187.19 g/mol
LogP-0.12
Rot. Bonds4

About 3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid

3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid (PubChem CID 125424994) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid
PubChem CID125424994
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid
SMILESNC(=O)[C@@H]1CC[C@H](CCC(=O)O)O1
InChIInChI=1S/C8H13NO4/c9-8(12)6-3-1-5(13-6)2-4-7(10)11/h5-6H,1-4H2,(H2,9,12)(H,10,11)/t5-,6+/m1/s1
InChIKeyNSNWDMQNPRWUBQ-RITPCOANSA-N
XLogP-0.12
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-5-carbamoyloxolane-2-carboxylic acid
CID 97358936
3-[(2R,5S)-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]oxolan-2-yl]propanoic acid
CID 167772103
3-[(2R,5S)-5-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]oxolan-2-yl]propanoic acid
CID 138056835
5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide
CID 167938136
(2S,5R)-5-[3-(6-chloro-3-fluoro-2-methylanilino)-3-oxopropyl]oxolane-2-carboxamide
CID 164630616
4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid
CID 13220194
4-[(5-carbamoyloxolan-2-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122006538
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
(2R)-5-prop-2-ynyloxolane-2-carboxylic acid
CID 175215996
5-(sulfanylmethyl)oxolane-2-carboxylic acid
CID 62298704
5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide
CID 119822338
(2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide
CID 97241017

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid?
The IUPAC name of 3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid (CID 125424994) is 3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid is NC(=O)[C@@H]1CC[C@H](CCC(=O)O)O1.
What is the InChIKey of 3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid?
The InChIKey is NSNWDMQNPRWUBQ-RITPCOANSA-N. The full InChI is InChI=1S/C8H13NO4/c9-8(12)6-3-1-5(13-6)2-4-7(10)11/h5-6H,1-4H2,(H2,9,12)(H,10,11)/t5-,6+/m1/s1.
What are the key properties of 3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid?
3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid has a molecular weight of 187.19 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid is sourced from PubChem (CID 125424994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).