3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid

C16H26N4O3 — CID 74248676

IUPAC3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)cn1
InChIInChI=1S/C16H26N4O3/c21-15-12-18(11-14(15)19-5-2-1-3-6-19)9-13-8-17-20(10-13)7-4-16(22)23/h8,10,14-15,21H,1-7,9,11-12H2,(H,22,23)/t14-,15-/m0/s1
InChIKeyDRNCFLIGVVEWBO-GJZGRUSLSA-N
MW322.41 g/mol
LogP0.39
Rot. Bonds6

About 3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid

3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid (PubChem CID 74248676) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid
PubChem CID74248676
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)cn1
InChIInChI=1S/C16H26N4O3/c21-15-12-18(11-14(15)19-5-2-1-3-6-19)9-13-8-17-20(10-13)7-4-16(22)23/h8,10,14-15,21H,1-7,9,11-12H2,(H,22,23)/t14-,15-/m0/s1
InChIKeyDRNCFLIGVVEWBO-GJZGRUSLSA-N
XLogP0.39
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 46988813
3-[4-[[(2R)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methyl]pyrazol-1-yl]propanoic acid
CID 99933636
(3S,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol
CID 77087582
(3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol
CID 133118132
3-[4-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]pyrazol-1-yl]propanoic acid
CID 74231336
(3R,4R)-1-[[2-(benzylamino)pyrimidin-5-yl]methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 133135313
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 133117300
(3S,4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 77081255
1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]azepane-2-carboxylic acid
CID 65069711
2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64616119
1-benzyl-4-piperidin-1-ylpiperidin-3-ol
CID 67311835
2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 103573426

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid (CID 74248676) is 3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)cn1.
What is the InChIKey of 3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid?
The InChIKey is DRNCFLIGVVEWBO-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H26N4O3/c21-15-12-18(11-14(15)19-5-2-1-3-6-19)9-13-8-17-20(10-13)7-4-16(22)23/h8,10,14-15,21H,1-7,9,11-12H2,(H,22,23)/t14-,15-/m0/s1.
What are the key properties of 3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid?
3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid has a molecular weight of 322.41 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 74248676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).