3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid

C14H20N4O3 — CID 64895091

IUPAC3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid
SMILESNC(CC(=O)O)C(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H20N4O3/c15-11(9-13(19)20)14(21)17-10-4-7-18(8-5-10)12-3-1-2-6-16-12/h1-3,6,10-11H,4-5,7-9,15H2,(H,17,21)(H,19,20)
InChIKeyJNLOTPMUJKCBOH-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.03
Rot. Bonds5

About 3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid

3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid (PubChem CID 64895091) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid
PubChem CID64895091
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid
SMILESNC(CC(=O)O)C(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H20N4O3/c15-11(9-13(19)20)14(21)17-10-4-7-18(8-5-10)12-3-1-2-6-16-12/h1-3,6,10-11H,4-5,7-9,15H2,(H,17,21)(H,19,20)
InChIKeyJNLOTPMUJKCBOH-UHFFFAOYSA-N
XLogP-0.03
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide
CID 60846790
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
5-amino-4-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide
CID 82013435
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94171475
2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246
(3S)-3-amino-4-[[1-(3-methylphenyl)piperidin-4-yl]amino]-4-oxobutanoic acid
CID 131933132
2-[4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetic acid
CID 138032228
2-(1-hydroxycyclohexyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 111331870
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111504795

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid?
The IUPAC name of 3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid (CID 64895091) is 3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid?
The canonical SMILES for 3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid is NC(CC(=O)O)C(=O)NC1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid?
The InChIKey is JNLOTPMUJKCBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c15-11(9-13(19)20)14(21)17-10-4-7-18(8-5-10)12-3-1-2-6-16-12/h1-3,6,10-11H,4-5,7-9,15H2,(H,17,21)(H,19,20).
What are the key properties of 3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid?
3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid has a molecular weight of 292.34 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 64895091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).