(2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid

C11H19NO7 — CID 139025893

IUPAC(2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C[C@@]1(O)OC[C@H](O)C(O)C1O
InChIInChI=1S/C11H19NO7/c13-7-4-19-11(18,9(15)8(7)14)5-12-3-1-2-6(12)10(16)17/h6-9,13-15,18H,1-5H2,(H,16,17)/t6-,7-,8?,9?,11+/m0/s1
InChIKeyWDZMFMTVJVHSKA-ZJTSKWAESA-N
MW277.27 g/mol
LogP-2.66
Rot. Bonds3

About (2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid

(2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 139025893) has the molecular formula C11H19NO7 and a molecular weight of 277.27 g/mol. Its IUPAC name is (2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID139025893
Molecular FormulaC11H19NO7
Molecular Weight277.27 g/mol
Exact Mass277.12
IUPAC Name(2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C[C@@]1(O)OC[C@H](O)C(O)C1O
InChIInChI=1S/C11H19NO7/c13-7-4-19-11(18,9(15)8(7)14)5-12-3-1-2-6(12)10(16)17/h6-9,13-15,18H,1-5H2,(H,16,17)/t6-,7-,8?,9?,11+/m0/s1
InChIKeyWDZMFMTVJVHSKA-ZJTSKWAESA-N
XLogP-2.66
TPSA130.69 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-2.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 102346380
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
(2R)-1-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 170899024
(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylic acid
CID 51440975
CID 66737893
CID 66737893
(2R)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914292
(2S,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 141491100
1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908716
(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 57122490
(2S)-1-(2-sulfanylethyl)pyrrolidine-2-carboxylic acid
CID 45116092
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid (CID 139025893) is (2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C[C@@]1(O)OC[C@H](O)C(O)C1O.
What is the InChIKey of (2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WDZMFMTVJVHSKA-ZJTSKWAESA-N. The full InChI is InChI=1S/C11H19NO7/c13-7-4-19-11(18,9(15)8(7)14)5-12-3-1-2-6(12)10(16)17/h6-9,13-15,18H,1-5H2,(H,16,17)/t6-,7-,8?,9?,11+/m0/s1.
What are the key properties of (2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 277.27 g/mol, XLogP of -2.66, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(2R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 139025893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).