(2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid

C9H16N2O4 — CID 80750139

IUPAC(2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
SMILESO=C(CC1CCNC1)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H16N2O4/c12-5-7(9(14)15)11-8(13)3-6-1-2-10-4-6/h6-7,10,12H,1-5H2,(H,11,13)(H,14,15)/t6?,7-/m1/s1
InChIKeyMYXLFNTVVVTWFL-COBSHVIPSA-N
MW216.24 g/mol
LogP-1.45
Rot. Bonds5

About (2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid

(2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid (PubChem CID 80750139) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
PubChem CID80750139
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
SMILESO=C(CC1CCNC1)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H16N2O4/c12-5-7(9(14)15)11-8(13)3-6-1-2-10-4-6/h6-7,10,12H,1-5H2,(H,11,13)(H,14,15)/t6?,7-/m1/s1
InChIKeyMYXLFNTVVVTWFL-COBSHVIPSA-N
XLogP-1.45
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 61157563
(2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
CID 62675980
3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
CID 62675458
3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid
CID 55049718
N-[(2R)-1-hydroxypropan-2-yl]-2-pyrrolidin-3-ylacetamide
CID 107218668
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[(2-pyrrolidin-3-ylacetyl)amino]butanoic acid
CID 82814294
(2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80750585
(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid
CID 62676165
(2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
CID 104894472
(2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 61160975
(2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid
CID 104898505
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 21179606

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid (CID 80750139) is (2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid is O=C(CC1CCNC1)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid?
The InChIKey is MYXLFNTVVVTWFL-COBSHVIPSA-N. The full InChI is InChI=1S/C9H16N2O4/c12-5-7(9(14)15)11-8(13)3-6-1-2-10-4-6/h6-7,10,12H,1-5H2,(H,11,13)(H,14,15)/t6?,7-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid?
(2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 80750139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).