4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid

C13H24N2O5 — CID 106836750

IUPAC4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)N1CCC(C(C)O)CC1)CC(=O)O
InChIInChI=1S/C13H24N2O5/c1-9(16)10-3-5-15(6-4-10)13(19)14-8-11(20-2)7-12(17)18/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyQMZQFMNEHKIZBX-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.28
Rot. Bonds6

About 4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid

4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid (PubChem CID 106836750) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid
PubChem CID106836750
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)N1CCC(C(C)O)CC1)CC(=O)O
InChIInChI=1S/C13H24N2O5/c1-9(16)10-3-5-15(6-4-10)13(19)14-8-11(20-2)7-12(17)18/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyQMZQFMNEHKIZBX-UHFFFAOYSA-N
XLogP0.28
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-[(4-propan-2-ylazepane-1-carbonyl)amino]butanoic acid
CID 103159491
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid
CID 106110619
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid
CID 103158808
4-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-3-methoxybutanoic acid
CID 103159359
3-methoxy-4-[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 103159678
3-methoxy-4-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
CID 103159285
3-methoxy-4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 103160151
4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid
CID 103159355
4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid
CID 103153368
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 106836851
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid
CID 103159409
3-methoxy-4-[(2-methylthiomorpholine-4-carbonyl)amino]butanoic acid
CID 103160015

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid (CID 106836750) is 4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid is COC(CNC(=O)N1CCC(C(C)O)CC1)CC(=O)O.
What is the InChIKey of 4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid?
The InChIKey is QMZQFMNEHKIZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-9(16)10-3-5-15(6-4-10)13(19)14-8-11(20-2)7-12(17)18/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid?
4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid is sourced from PubChem (CID 106836750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).