3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid

C12H24N2O3 — CID 103247695

IUPAC3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid
SMILESCC(CN1CCCCC1)NCC(O)CC(=O)O
InChIInChI=1S/C12H24N2O3/c1-10(9-14-5-3-2-4-6-14)13-8-11(15)7-12(16)17/h10-11,13,15H,2-9H2,1H3,(H,16,17)
InChIKeyVNANGUFJCYZXCW-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.29
Rot. Bonds7

About 3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid

3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid (PubChem CID 103247695) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid
PubChem CID103247695
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid
SMILESCC(CN1CCCCC1)NCC(O)CC(=O)O
InChIInChI=1S/C12H24N2O3/c1-10(9-14-5-3-2-4-6-14)13-8-11(15)7-12(16)17/h10-11,13,15H,2-9H2,1H3,(H,16,17)
InChIKeyVNANGUFJCYZXCW-UHFFFAOYSA-N
XLogP0.29
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 61499979
4-(azepan-1-yl)-3-hydroxybutanoic acid
CID 82774888
1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 54960254
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837
2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43749022
2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
CID 61499964
2-methyl-3-oxo-3-(1-piperidin-1-ylpropan-2-ylamino)propanoic acid
CID 114898104
5-(1-piperidin-1-ylpropan-2-ylamino)pentanamide
CID 114281596
1-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 106989617
3-amino-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoic acid
CID 64897097
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid?
The IUPAC name of 3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid (CID 103247695) is 3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid is CC(CN1CCCCC1)NCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid?
The InChIKey is VNANGUFJCYZXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(9-14-5-3-2-4-6-14)13-8-11(15)7-12(16)17/h10-11,13,15H,2-9H2,1H3,(H,16,17).
What are the key properties of 3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid?
3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid is sourced from PubChem (CID 103247695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).