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

C5H10N2O3 — CID 69429414

IUPAC(3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid
SMILESN[C@@H]1CN(C(=O)O)C[C@@H]1O
InChIInChI=1S/C5H10N2O3/c6-3-1-7(5(9)10)2-4(3)8/h3-4,8H,1-2,6H2,(H,9,10)/t3-,4+/m1/s1
InChIKeyARBCKANUJKGOHT-DMTCNVIQSA-N
MW146.15 g/mol
LogP-1.33
Rot. Bonds

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

(3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 69429414) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID69429414
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid
SMILESN[C@@H]1CN(C(=O)O)C[C@@H]1O
InChIInChI=1S/C5H10N2O3/c6-3-1-7(5(9)10)2-4(3)8/h3-4,8H,1-2,6H2,(H,9,10)/t3-,4+/m1/s1
InChIKeyARBCKANUJKGOHT-DMTCNVIQSA-N
XLogP-1.33
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
CID 134211031
4-amino-3-hydroxyazepane-1-carboxylic acid
CID 22036680
3-aminoazetidine-1-carboxylic acid;hydrochloride
CID 126721297
(3R)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid
CID 175579106
(3S,4S)-3-fluoro-4-hydroxypyrrolidine-1-carboxylic acid
CID 135307863
acetic acid;tert-butyl (3S,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate
CID 138393610
(3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride
CID 68538859
(3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 134587542
3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylic acid
CID 126673582
3-carbamoylazetidine-1-carboxylic acid
CID 22731075
3-amino-4-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylic acid
CID 22646800
4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid (CID 69429414) is (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid is N[C@@H]1CN(C(=O)O)C[C@@H]1O.
What is the InChIKey of (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is ARBCKANUJKGOHT-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H10N2O3/c6-3-1-7(5(9)10)2-4(3)8/h3-4,8H,1-2,6H2,(H,9,10)/t3-,4+/m1/s1.
What are the key properties of (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid?
(3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 146.15 g/mol, XLogP of -1.33, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69429414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).