3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid

C12H22N2O5 — CID 82691194

IUPAC3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C12H22N2O5/c1-9(8-11(16)17)13-12(18)14-4-2-10(3-5-14)19-7-6-15/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeySFNBCOUVHNUQOK-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.03
Rot. Bonds6

About 3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid

3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 82691194) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
PubChem CID82691194
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C12H22N2O5/c1-9(8-11(16)17)13-12(18)14-4-2-10(3-5-14)19-7-6-15/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeySFNBCOUVHNUQOK-UHFFFAOYSA-N
XLogP0.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61216878
4-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 82690900
2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 82691048
(2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691121
3-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61191657
4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 82015600
2-[1-(pentan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876957
2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 82015397
2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876453
3-[1-(but-3-yn-2-ylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 114418420
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875575

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid (CID 82691194) is 3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)N1CCC(OCCO)CC1.
What is the InChIKey of 3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is SFNBCOUVHNUQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-9(8-11(16)17)13-12(18)14-4-2-10(3-5-14)19-7-6-15/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid?
3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 82691194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).