(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid

C6H11NO3 — CID 5318293

IUPAC(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1C[C@H](CO)CN1
InChIInChI=1S/C6H11NO3/c8-3-4-1-5(6(9)10)7-2-4/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5?/m0/s1
InChIKeyCISMGNUPDUKNQK-ROLXFIACSA-N
MW145.16 g/mol
LogP-0.96
Rot. Bonds2

About (4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid

(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid (PubChem CID 5318293) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID5318293
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1C[C@H](CO)CN1
InChIInChI=1S/C6H11NO3/c8-3-4-1-5(6(9)10)7-2-4/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5?/m0/s1
InChIKeyCISMGNUPDUKNQK-ROLXFIACSA-N
XLogP-0.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid (CID 5318293) is (4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1C[C@H](CO)CN1.
What is the InChIKey of (4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CISMGNUPDUKNQK-ROLXFIACSA-N. The full InChI is InChI=1S/C6H11NO3/c8-3-4-1-5(6(9)10)7-2-4/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5?/m0/s1.
What are the key properties of (4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid?
(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 5318293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).