2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid

C12H21N3O4 — CID 62311887

IUPAC2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)C2CC(O)CN2)CC1
InChIInChI=1S/C12H21N3O4/c1-8(12(18)19)14-2-4-15(5-3-14)11(17)10-6-9(16)7-13-10/h8-10,13,16H,2-7H2,1H3,(H,18,19)
InChIKeyJWYWJSAQKHLYBE-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.67
Rot. Bonds3

About 2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid

2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 62311887) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID62311887
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)C2CC(O)CN2)CC1
InChIInChI=1S/C12H21N3O4/c1-8(12(18)19)14-2-4-15(5-3-14)11(17)10-6-9(16)7-13-10/h8-10,13,16H,2-7H2,1H3,(H,18,19)
InChIKeyJWYWJSAQKHLYBE-UHFFFAOYSA-N
XLogP-1.67
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4R)-4-hydroxypyrrolidin-2-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 154914601
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 54869715
2-[4-(azepane-2-carbonyl)piperazin-1-yl]propanoic acid
CID 64569745
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119852095
4-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]piperazine-1-carbaldehyde
CID 168822256
[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119877516
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 43501363
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 130877437
2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615736
2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119875939
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
CID 62317248

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid (CID 62311887) is 2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)C2CC(O)CN2)CC1.
What is the InChIKey of 2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is JWYWJSAQKHLYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-8(12(18)19)14-2-4-15(5-3-14)11(17)10-6-9(16)7-13-10/h8-10,13,16H,2-7H2,1H3,(H,18,19).
What are the key properties of 2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid?
2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 271.32 g/mol, XLogP of -1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62311887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).