(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid

C10H18N2O4 — CID 45072314

IUPAC(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-6-4-7(8(13)14)11-5-6/h6-7,11H,4-5H2,1-3H3,(H,12,15)(H,13,14)/t6-,7+/m1/s1
InChIKeyZLTYSXLMVYGBJO-RQJHMYQMSA-N
MW230.26 g/mol
LogP0.33
Rot. Bonds2

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

(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid (PubChem CID 45072314) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid
PubChem CID45072314
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-6-4-7(8(13)14)11-5-6/h6-7,11H,4-5H2,1-3H3,(H,12,15)(H,13,14)/t6-,7+/m1/s1
InChIKeyZLTYSXLMVYGBJO-RQJHMYQMSA-N
XLogP0.33
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid (CID 45072314) is (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N[C@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid?
The InChIKey is ZLTYSXLMVYGBJO-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-6-4-7(8(13)14)11-5-6/h6-7,11H,4-5H2,1-3H3,(H,12,15)(H,13,14)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid?
(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 45072314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).