1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid

C14H24N2O4 — CID 106136922

IUPAC1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CNCC2CCC(O)C2)CC1
InChIInChI=1S/C14H24N2O4/c17-12-2-1-10(7-12)8-15-9-13(18)16-5-3-11(4-6-16)14(19)20/h10-12,15,17H,1-9H2,(H,19,20)
InChIKeyJUPPMTZTHBVAMH-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.06
Rot. Bonds5

About 1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 106136922) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID106136922
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CNCC2CCC(O)C2)CC1
InChIInChI=1S/C14H24N2O4/c17-12-2-1-10(7-12)8-15-9-13(18)16-5-3-11(4-6-16)14(19)20/h10-12,15,17H,1-9H2,(H,19,20)
InChIKeyJUPPMTZTHBVAMH-UHFFFAOYSA-N
XLogP0.06
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106129832
1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone
CID 106133822
1-[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103237505
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 103244498
1-[2-[(2-methoxy-2-oxoethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103231226
1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid
CID 79279797
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210
1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid
CID 103237166
1-[2-(3-methylsulfanylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103252031
1-[2-[(1-ethylpyrrolidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 103236027
1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 114154411

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid (CID 106136922) is 1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CNCC2CCC(O)C2)CC1.
What is the InChIKey of 1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is JUPPMTZTHBVAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-12-2-1-10(7-12)8-15-9-13(18)16-5-3-11(4-6-16)14(19)20/h10-12,15,17H,1-9H2,(H,19,20).
What are the key properties of 1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106136922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).