2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid

C11H18N2O6 — CID 66167975

IUPAC2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCOC(=O)C1CCN(C(=O)NCC(O)C(=O)O)CC1
InChIInChI=1S/C11H18N2O6/c1-19-10(17)7-2-4-13(5-3-7)11(18)12-6-8(14)9(15)16/h7-8,14H,2-6H2,1H3,(H,12,18)(H,15,16)
InChIKeyVFWOCGLQDBJHOK-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.97
Rot. Bonds4

About 2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid

2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 66167975) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID66167975
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCOC(=O)C1CCN(C(=O)NCC(O)C(=O)O)CC1
InChIInChI=1S/C11H18N2O6/c1-19-10(17)7-2-4-13(5-3-7)11(18)12-6-8(14)9(15)16/h7-8,14H,2-6H2,1H3,(H,12,18)(H,15,16)
InChIKeyVFWOCGLQDBJHOK-UHFFFAOYSA-N
XLogP-0.97
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-hydroxy-3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840674
2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65217912
3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66164892
(2S)-3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 107838219
3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 66165088
3-[(4-ethylazepane-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166177
(2S)-2-hydroxy-3-[(4-methylazepane-1-carbonyl)amino]propanoic acid
CID 107839970
(2S)-2-hydroxy-3-[(4-propan-2-ylazepane-1-carbonyl)amino]propanoic acid
CID 107840142
2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 115535386
(2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid
CID 114007350
4-[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 81071213
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-2-methoxypropanoic acid
CID 106110619

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid (CID 66167975) is 2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid is COC(=O)C1CCN(C(=O)NCC(O)C(=O)O)CC1.
What is the InChIKey of 2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is VFWOCGLQDBJHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-19-10(17)7-2-4-13(5-3-7)11(18)12-6-8(14)9(15)16/h7-8,14H,2-6H2,1H3,(H,12,18)(H,15,16).
What are the key properties of 2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid?
2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 274.27 g/mol, XLogP of -0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66167975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).