2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid

C9H16N2O4 — CID 62639278

IUPAC2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CC(O)CN1
InChIInChI=1S/C9H16N2O4/c1-5(9(14)15)11(2)8(13)7-3-6(12)4-10-7/h5-7,10,12H,3-4H2,1-2H3,(H,14,15)
InChIKeyHVFPSIWBJGJHTH-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.36
Rot. Bonds3

About 2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid

2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid (PubChem CID 62639278) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid
PubChem CID62639278
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CC(O)CN1
InChIInChI=1S/C9H16N2O4/c1-5(9(14)15)11(2)8(13)7-3-6(12)4-10-7/h5-7,10,12H,3-4H2,1-2H3,(H,14,15)
InChIKeyHVFPSIWBJGJHTH-UHFFFAOYSA-N
XLogP-1.36
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 19907192
4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 54874282
(2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 120553005
(2R)-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 79009605
1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone
CID 154429079
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
4-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 82948394
N-(2-amino-2-oxoethyl)-4-hydroxy-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60963717
(2R,4S)-4-hydroxy-N,N-dipropylpyrrolidine-2-carboxamide;hydrochloride
CID 120552956
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydroxysilane
CID 131716757
ethyl 2-[(4-hydroxypyrrolidine-2-carbonyl)-propan-2-ylamino]acetate
CID 54916695
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 43588844

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid (CID 62639278) is 2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)C1CC(O)CN1.
What is the InChIKey of 2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid?
The InChIKey is HVFPSIWBJGJHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-5(9(14)15)11(2)8(13)7-3-6(12)4-10-7/h5-7,10,12H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid?
2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxypyrrolidine-2-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 62639278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).