(2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate

C8H14N2O4 — CID 7408257

IUPAC(2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate
SMILESO=C([O-])[C@H](CO)NC(=O)[C@@H]1CCC[NH2+]1
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-/m0/s1
InChIKeyAFWBWPCXSWUCLB-WDSKDSINSA-N
MW202.21 g/mol
LogP-4.06
Rot. Bonds4

About (2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate

(2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate (PubChem CID 7408257) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate
PubChem CID7408257
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate
SMILESO=C([O-])[C@H](CO)NC(=O)[C@@H]1CCC[NH2+]1
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-/m0/s1
InChIKeyAFWBWPCXSWUCLB-WDSKDSINSA-N
XLogP-4.06
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-4.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate?
The IUPAC name of (2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate (CID 7408257) is (2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate.
What is the SMILES notation for (2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate?
The canonical SMILES for (2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate is O=C([O-])[C@H](CO)NC(=O)[C@@H]1CCC[NH2+]1.
What is the InChIKey of (2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate?
The InChIKey is AFWBWPCXSWUCLB-WDSKDSINSA-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-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate?
(2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate has a molecular weight of 202.21 g/mol, XLogP of -4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate is sourced from PubChem (CID 7408257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).