2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid

C23H45NO6 — CID 170252200

IUPAC2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(CO)OC(=O)NCC(=O)O
InChIInChI=1S/C23H45NO6/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-23(5,29)20(16-25)30-22(28)24-15-21(26)27/h17-20,25,29H,6-16H2,1-5H3,(H,24,28)(H,26,27)
InChIKeyCQNWMCDTGKSNRA-UHFFFAOYSA-N
MW431.61 g/mol
LogP4.35
Rot. Bonds17

About 2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid

2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 170252200) has the molecular formula C23H45NO6 and a molecular weight of 431.61 g/mol. Its IUPAC name is 2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid
PubChem CID170252200
Molecular FormulaC23H45NO6
Molecular Weight431.61 g/mol
Exact Mass431.32
IUPAC Name2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(CO)OC(=O)NCC(=O)O
InChIInChI=1S/C23H45NO6/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-23(5,29)20(16-25)30-22(28)24-15-21(26)27/h17-20,25,29H,6-16H2,1-5H3,(H,24,28)(H,26,27)
InChIKeyCQNWMCDTGKSNRA-UHFFFAOYSA-N
XLogP4.35
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.61
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid with MolForge

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Related Compounds

6-methylheptan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 170788050
3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate
CID 166505156
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
9-hydroxy-5,9-dimethyldecanoic acid
CID 170558406
8,12-dimethyltridecanoic acid
CID 101005175
11,15-dimethylhexadecanoic acid
CID 5282701
2,2-dimethoxy-6,10,14-trimethylpentadecane
CID 118520250
(2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol
CID 23400782
2-(7-methyloctanoylamino)acetic acid
CID 21289225
2-[[2-(6-methylheptan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61471562
2-(furan-2-ylsulfanyl)-3,7,11,15-tetramethylhexadecane-1,3-diol
CID 59671928
12,17-dimethyloctadecanoic acid
CID 123475021

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of 2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid (CID 170252200) is 2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for 2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid is CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(CO)OC(=O)NCC(=O)O.
What is the InChIKey of 2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is CQNWMCDTGKSNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO6/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-23(5,29)20(16-25)30-22(28)24-15-21(26)27/h17-20,25,29H,6-16H2,1-5H3,(H,24,28)(H,26,27).
What are the key properties of 2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid?
2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 431.61 g/mol, XLogP of 4.35, 17 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dihydroxy-3,7,11,15-tetramethylhexadecan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 170252200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).