(2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

C6H12N2O3 — CID 138731797

IUPAC(2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESN[C@H]1C[C@@H](CO)N(C(=O)O)C1
InChIInChI=1S/C6H12N2O3/c7-4-1-5(3-9)8(2-4)6(10)11/h4-5,9H,1-3,7H2,(H,10,11)/t4-,5-/m0/s1
InChIKeyKDSCANNHQFTNPU-WHFBIAKZSA-N
MW160.17 g/mol
LogP-0.94
Rot. Bonds1

About (2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

(2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 138731797) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is (2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID138731797
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name(2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESN[C@H]1C[C@@H](CO)N(C(=O)O)C1
InChIInChI=1S/C6H12N2O3/c7-4-1-5(3-9)8(2-4)6(10)11/h4-5,9H,1-3,7H2,(H,10,11)/t4-,5-/m0/s1
InChIKeyKDSCANNHQFTNPU-WHFBIAKZSA-N
XLogP-0.94
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 70895994
(2R,4R)-4-amino-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylic acid
CID 68849519
benzyl (2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate;hydrochloride
CID 45072633
2-(hydroxymethyl)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylic acid
CID 68629420
[(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol
CID 130193013
2-aminoaziridine-1-carboxylic acid
CID 154148433
(2S,4R)-2,4-bis(hydroxymethyl)azetidine-1-carboxylic acid
CID 139578433
2-(hydroxymethyl)-4-(3-methoxypropoxy)pyrrolidine-1-carboxylic acid
CID 118497241
(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxamide
CID 127011619
(2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid
CID 154462534
(2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid
CID 170339024
(2R)-2-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid
CID 175472031

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (CID 138731797) is (2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is N[C@H]1C[C@@H](CO)N(C(=O)O)C1.
What is the InChIKey of (2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is KDSCANNHQFTNPU-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H12N2O3/c7-4-1-5(3-9)8(2-4)6(10)11/h4-5,9H,1-3,7H2,(H,10,11)/t4-,5-/m0/s1.
What are the key properties of (2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
(2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 160.17 g/mol, XLogP of -0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 138731797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).