3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid

C15H25NO4 — CID 106107724

IUPAC3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid
SMILESCOC(CNC(=O)C1CCC2CCCCC2C1)C(=O)O
InChIInChI=1S/C15H25NO4/c1-20-13(15(18)19)9-16-14(17)12-7-6-10-4-2-3-5-11(10)8-12/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyUDBFUJYGGUIDNV-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.81
Rot. Bonds5

About 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid

3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid (PubChem CID 106107724) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid
PubChem CID106107724
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid
SMILESCOC(CNC(=O)C1CCC2CCCCC2C1)C(=O)O
InChIInChI=1S/C15H25NO4/c1-20-13(15(18)19)9-16-14(17)12-7-6-10-4-2-3-5-11(10)8-12/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyUDBFUJYGGUIDNV-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid with MolForge

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Related Compounds

N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 109478559
3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid
CID 114144299
2-methoxy-3-(oxane-3-carbonylamino)propanoic acid
CID 106107266
N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 107157845
2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 106107966
2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid
CID 106109025
N-[2-(2-chloroethyl)pentyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106117756
3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
CID 106108236
2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid
CID 106107998
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533750
(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-4-methylsulfanylbutanoic acid
CID 104906147
N-(3-iodopropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 114504183

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid?
The IUPAC name of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid (CID 106107724) is 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid.
What is the SMILES notation for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid?
The canonical SMILES for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid is COC(CNC(=O)C1CCC2CCCCC2C1)C(=O)O.
What is the InChIKey of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid?
The InChIKey is UDBFUJYGGUIDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-20-13(15(18)19)9-16-14(17)12-7-6-10-4-2-3-5-11(10)8-12/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid?
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid has a molecular weight of 283.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid is sourced from PubChem (CID 106107724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).