2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid

C14H26N2O4 — CID 61191277

IUPAC2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)N1CCCCC1CCO)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-10(2)12(13(18)19)15-14(20)16-8-5-4-6-11(16)7-9-17/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyXFHDLFFBJZXNGO-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.43
Rot. Bonds6

About 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid

2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid (PubChem CID 61191277) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid
PubChem CID61191277
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)N1CCCCC1CCO)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-10(2)12(13(18)19)15-14(20)16-8-5-4-6-11(16)7-9-17/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyXFHDLFFBJZXNGO-UHFFFAOYSA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 61191119
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate
CID 3987418
(2S)-2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 61191605
(2S)-2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-3-methylpentanoic acid
CID 61206521
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 104690867
(2S,3R)-3-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104966198
(2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107828734
(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934
(2R)-3-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055978
(2S,3R)-3-hydroxy-2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104965962

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid (CID 61191277) is 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)N1CCCCC1CCO)C(=O)O.
What is the InChIKey of 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid?
The InChIKey is XFHDLFFBJZXNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-10(2)12(13(18)19)15-14(20)16-8-5-4-6-11(16)7-9-17/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid?
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 61191277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).