2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid

C12H22N2O4 — CID 64582737

IUPAC2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid
SMILESCC(=O)NC(CN1CCCC1CCCO)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-9(16)13-11(12(17)18)8-14-6-2-4-10(14)5-3-7-15/h10-11,15H,2-8H2,1H3,(H,13,16)(H,17,18)
InChIKeyRADHDAZKLVTIHI-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.19
Rot. Bonds7

About 2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid

2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid (PubChem CID 64582737) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid
PubChem CID64582737
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid
SMILESCC(=O)NC(CN1CCCC1CCCO)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-9(16)13-11(12(17)18)8-14-6-2-4-10(14)5-3-7-15/h10-11,15H,2-8H2,1H3,(H,13,16)(H,17,18)
InChIKeyRADHDAZKLVTIHI-UHFFFAOYSA-N
XLogP-0.19
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid
CID 64581919
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide
CID 63571893
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one
CID 62612828
N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 55076215
methyl 2-acetamido-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 65474978
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 62478870
(2R)-4-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 114005601
methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate
CID 83055490
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 55076268

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid (CID 64582737) is 2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid is CC(=O)NC(CN1CCCC1CCCO)C(=O)O.
What is the InChIKey of 2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid?
The InChIKey is RADHDAZKLVTIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(16)13-11(12(17)18)8-14-6-2-4-10(14)5-3-7-15/h10-11,15H,2-8H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid?
2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 64582737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).