(2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid

C8H14N2O5 — CID 170172588

IUPAC(2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)[C@H](CO)NC(=O)[C@@H]1CCCN1O
InChIInChI=1S/C8H14N2O5/c11-4-5(8(13)14)9-7(12)6-2-1-3-10(6)15/h5-6,11,15H,1-4H2,(H,9,12)(H,13,14)/t5-,6-/m0/s1
InChIKeyIVSJOEQIBGPUPX-WDSKDSINSA-N
MW218.21 g/mol
LogP-1.60
Rot. Bonds4

About (2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid

(2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid (PubChem CID 170172588) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid
PubChem CID170172588
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name(2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)[C@H](CO)NC(=O)[C@@H]1CCCN1O
InChIInChI=1S/C8H14N2O5/c11-4-5(8(13)14)9-7(12)6-2-1-3-10(6)15/h5-6,11,15H,1-4H2,(H,9,12)(H,13,14)/t5-,6-/m0/s1
InChIKeyIVSJOEQIBGPUPX-WDSKDSINSA-N
XLogP-1.60
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 80749163
2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 18490553
2-[[1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 18232493
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 175735293
(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80748785
(2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825159
2-[[1-[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 18483049
(2S)-3-hydroxy-2-[[(2S)-1-[2-(tetradecanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 175706142
2-[[1-[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 18233669
3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 43357770
2-[[2-[[1-(2-amino-3-carboxypropanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid
CID 18252392
methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate
CID 43423256

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid (CID 170172588) is (2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid is O=C(O)[C@H](CO)NC(=O)[C@@H]1CCCN1O.
What is the InChIKey of (2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid?
The InChIKey is IVSJOEQIBGPUPX-WDSKDSINSA-N. The full InChI is InChI=1S/C8H14N2O5/c11-4-5(8(13)14)9-7(12)6-2-1-3-10(6)15/h5-6,11,15H,1-4H2,(H,9,12)(H,13,14)/t5-,6-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid?
(2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid has a molecular weight of 218.21 g/mol, XLogP of -1.60, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[(2S)-1-hydroxypyrrolidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 170172588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).