2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid

C13H24N2O5 — CID 106836809

IUPAC2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)N1CCC(C(C)O)CC1)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-9(16)10-3-6-15(7-4-10)13(19)14-11(12(17)18)5-8-20-2/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyLJNREYLQXKDGLP-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.28
Rot. Bonds6

About 2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid

2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid (PubChem CID 106836809) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid
PubChem CID106836809
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)N1CCC(C(C)O)CC1)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-9(16)10-3-6-15(7-4-10)13(19)14-11(12(17)18)5-8-20-2/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyLJNREYLQXKDGLP-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

(2S)-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107146710
3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106836832
4-[(1R)-1-hydroxyethyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-1-carboxamide
CID 95348703
(2S)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 103942898
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid
CID 107567485
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanedioic acid
CID 103942887
4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid
CID 62480080
(2R)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 103942895
4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid
CID 62480436
2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid
CID 81084930
4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
CID 62777483
4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 102962656

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid (CID 106836809) is 2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid is COCCC(NC(=O)N1CCC(C(C)O)CC1)C(=O)O.
What is the InChIKey of 2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid?
The InChIKey is LJNREYLQXKDGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-9(16)10-3-6-15(7-4-10)13(19)14-11(12(17)18)5-8-20-2/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid?
2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-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 2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 106836809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).