(2S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

C10H17NO5 — CID 68929898

IUPAC(2S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1CN[C@H](C(=O)O)[C@H]1O
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(15)5-4-11-6(7(5)12)8(13)14/h5-7,11-12H,4H2,1-3H3,(H,13,14)/t5-,6+,7+/m1/s1
InChIKeyITRMSMHUTVRPAX-VQVTYTSYSA-N
MW231.25 g/mol
LogP-0.64
Rot. Bonds2

About (2S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

(2S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 68929898) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID68929898
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(2S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1CN[C@H](C(=O)O)[C@H]1O
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(15)5-4-11-6(7(5)12)8(13)14/h5-7,11-12H,4H2,1-3H3,(H,13,14)/t5-,6+,7+/m1/s1
InChIKeyITRMSMHUTVRPAX-VQVTYTSYSA-N
XLogP-0.64
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
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 ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (CID 68929898) is (2S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)[C@@H]1CN[C@H](C(=O)O)[C@H]1O.
What is the InChIKey of (2S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ITRMSMHUTVRPAX-VQVTYTSYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)5-4-11-6(7(5)12)8(13)14/h5-7,11-12H,4H2,1-3H3,(H,13,14)/t5-,6+,7+/m1/s1.
What are the key properties of (2S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
(2S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 68929898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).