(2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid

C10H17NO5 — CID 102945348

IUPAC(2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC(CO)CNC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C10H17NO5/c1-6(5-12)4-11-9(13)7-2-3-8(16-7)10(14)15/h6-8,12H,2-5H2,1H3,(H,11,13)(H,14,15)/t6?,7-,8+/m0/s1
InChIKeySOFAZTQJPKKHQO-ZHFSPANRSA-N
MW231.25 g/mol
LogP-0.64
Rot. Bonds5

About (2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945348) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945348
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC(CO)CNC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C10H17NO5/c1-6(5-12)4-11-9(13)7-2-3-8(16-7)10(14)15/h6-8,12H,2-5H2,1H3,(H,11,13)(H,14,15)/t6?,7-,8+/m0/s1
InChIKeySOFAZTQJPKKHQO-ZHFSPANRSA-N
XLogP-0.64
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65037062
5-(cyanomethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688288
(2R,5S)-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102945643
(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944290
(2R,5S)-5-(but-2-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945677
(2R,5S)-5-[(2,2-difluoro-3-hydroxypropyl)carbamoyl]oxolane-2-carboxylic acid
CID 106167993
N-(3-amino-2-methylpropyl)-5-methyloxolane-2-carboxamide
CID 81324675
(2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944416
(2R,5S)-5-(6-hydroxyhexylcarbamoyl)oxolane-2-carboxylic acid
CID 107846499
(2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid
CID 131204169
5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688875

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid (CID 102945348) is (2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid is CC(CO)CNC(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is SOFAZTQJPKKHQO-ZHFSPANRSA-N. The full InChI is InChI=1S/C10H17NO5/c1-6(5-12)4-11-9(13)7-2-3-8(16-7)10(14)15/h6-8,12H,2-5H2,1H3,(H,11,13)(H,14,15)/t6?,7-,8+/m0/s1.
What are the key properties of (2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(3-hydroxy-2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).