(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid

C8H14N2O4 — CID 80751621

IUPAC(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
SMILESO=C(N[C@H](CO)C(=O)O)C1CCCN1
InChIInChI=1S/C8H14N2O4/c11-4-6(8(13)14)10-7(12)5-2-1-3-9-5/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)/t5?,6-/m1/s1
InChIKeyAFWBWPCXSWUCLB-PRJDIBJQSA-N
MW202.21 g/mol
LogP-1.70
Rot. Bonds4

About (2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid

(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid (PubChem CID 80751621) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
PubChem CID80751621
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
SMILESO=C(N[C@H](CO)C(=O)O)C1CCCN1
InChIInChI=1S/C8H14N2O4/c11-4-6(8(13)14)10-7(12)5-2-1-3-9-5/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)/t5?,6-/m1/s1
InChIKeyAFWBWPCXSWUCLB-PRJDIBJQSA-N
XLogP-1.70
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913543
(3S)-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 145457422
4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 104901043
2-[[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanedioic acid
CID 18223690
(2S)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoic acid
CID 145457511
(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanedioic acid
CID 145457571
(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoic acid
CID 145457574
(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoic acid
CID 145457597
(2S)-3-hydroxy-2-[[(2S)-4-methylsulfanyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoic acid
CID 145457544
(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid
CID 61159815
(2R)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 103870279
5-amino-2-[[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]-5-oxopentanoic acid
CID 18223693

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid (CID 80751621) is (2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid is O=C(N[C@H](CO)C(=O)O)C1CCCN1.
What is the InChIKey of (2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid?
The InChIKey is AFWBWPCXSWUCLB-PRJDIBJQSA-N. The full InChI is InChI=1S/C8H14N2O4/c11-4-6(8(13)14)10-7(12)5-2-1-3-9-5/h5-6,9,11H,1-4H2,(H,10,12)(H,13,14)/t5?,6-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid?
(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid has a molecular weight of 202.21 g/mol, XLogP of -1.70, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid is sourced from PubChem (CID 80751621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).