2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid

C7H13NO4 — CID 134574205

IUPAC2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1C[C@@H](O)C[C@H]1CO
InChIInChI=1S/C7H13NO4/c9-4-5-1-6(10)2-8(5)3-7(11)12/h5-6,9-10H,1-4H2,(H,11,12)/t5-,6-/m0/s1
InChIKeyGJLINBVEUWYILN-WDSKDSINSA-N
MW175.18 g/mol
LogP-1.50
Rot. Bonds3

About 2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid

2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid (PubChem CID 134574205) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid
PubChem CID134574205
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1C[C@@H](O)C[C@H]1CO
InChIInChI=1S/C7H13NO4/c9-4-5-1-6(10)2-8(5)3-7(11)12/h5-6,9-10H,1-4H2,(H,11,12)/t5-,6-/m0/s1
InChIKeyGJLINBVEUWYILN-WDSKDSINSA-N
XLogP-1.50
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-1-(2-chloroprop-2-enyl)-5-(hydroxymethyl)pyrrolidin-3-ol
CID 131084047
(3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol
CID 126987725
(3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 130621127
(3R,5S)-1-(2,2-difluoroethyl)-5-(hydroxymethyl)pyrrolidin-3-ol
CID 130706866
(3R,5S)-1-hexadecyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 156737514
2-[3-(hydroxymethyl)thiomorpholin-4-yl]acetic acid
CID 130834958
2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid
CID 83817785
3-[(4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
CID 69419168
3-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
CID 68644224
N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]hexyl]acetamide
CID 157463961
(3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol
CID 169224677
3-[(2S,5S,8S,11S)-5,8,11-tris(2-carboxyethyl)-1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetrazacyclododec-2-yl]propanoic acid
CID 151642240

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid (CID 134574205) is 2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid is O=C(O)CN1C[C@@H](O)C[C@H]1CO.
What is the InChIKey of 2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid?
The InChIKey is GJLINBVEUWYILN-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13NO4/c9-4-5-1-6(10)2-8(5)3-7(11)12/h5-6,9-10H,1-4H2,(H,11,12)/t5-,6-/m0/s1.
What are the key properties of 2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid?
2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid has a molecular weight of 175.18 g/mol, XLogP of -1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 134574205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).