(3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid

C9H14N2O4 — CID 68544778

IUPAC(3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C(NC1CC1)[C@@H]1CN(C(=O)O)C[C@H]1O
InChIInChI=1S/C9H14N2O4/c12-7-4-11(9(14)15)3-6(7)8(13)10-5-1-2-5/h5-7,12H,1-4H2,(H,10,13)(H,14,15)/t6-,7-/m1/s1
InChIKeyDYIGKRPIHRXBFV-RNFRBKRXSA-N
MW214.22 g/mol
LogP-0.76
Rot. Bonds2

About (3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid

(3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 68544778) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is (3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID68544778
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name(3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid
SMILESO=C(NC1CC1)[C@@H]1CN(C(=O)O)C[C@H]1O
InChIInChI=1S/C9H14N2O4/c12-7-4-11(9(14)15)3-6(7)8(13)10-5-1-2-5/h5-7,12H,1-4H2,(H,10,13)(H,14,15)/t6-,7-/m1/s1
InChIKeyDYIGKRPIHRXBFV-RNFRBKRXSA-N
XLogP-0.76
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of (3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid (CID 68544778) is (3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid is O=C(NC1CC1)[C@@H]1CN(C(=O)O)C[C@H]1O.
What is the InChIKey of (3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is DYIGKRPIHRXBFV-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H14N2O4/c12-7-4-11(9(14)15)3-6(7)8(13)10-5-1-2-5/h5-7,12H,1-4H2,(H,10,13)(H,14,15)/t6-,7-/m1/s1.
What are the key properties of (3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid?
(3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68544778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).