10-[(2-methylpropan-2-yl)oxycarbonylamino]-6-prop-2-enyldecanoic acid

C18H33NO4 — CID 138632585

IUPAC10-[(2-methylpropan-2-yl)oxycarbonylamino]-6-prop-2-enyldecanoic acid
SMILESC=CCC(CCCCNC(=O)OC(C)(C)C)CCCCC(=O)O
InChIInChI=1S/C18H33NO4/c1-5-10-15(11-6-7-13-16(20)21)12-8-9-14-19-17(22)23-18(2,3)4/h5,15H,1,6-14H2,2-4H3,(H,19,22)(H,20,21)
InChIKeyGKYSSNHXCDJWJH-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.52
Rot. Bonds12

About 10-[(2-methylpropan-2-yl)oxycarbonylamino]-6-prop-2-enyldecanoic acid

10-[(2-methylpropan-2-yl)oxycarbonylamino]-6-prop-2-enyldecanoic acid (PubChem CID 138632585) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is 10-[(2-methylpropan-2-yl)oxycarbonylamino]-6-prop-2-enyldecanoic acid.

Molecular Properties

Compound Name10-[(2-methylpropan-2-yl)oxycarbonylamino]-6-prop-2-enyldecanoic acid
PubChem CID138632585
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Name10-[(2-methylpropan-2-yl)oxycarbonylamino]-6-prop-2-enyldecanoic acid
SMILESC=CCC(CCCCNC(=O)OC(C)(C)C)CCCCC(=O)O
InChIInChI=1S/C18H33NO4/c1-5-10-15(11-6-7-13-16(20)21)12-8-9-14-19-17(22)23-18(2,3)4/h5,15H,1,6-14H2,2-4H3,(H,19,22)(H,20,21)
InChIKeyGKYSSNHXCDJWJH-UHFFFAOYSA-N
XLogP4.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

11-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]undecanoic acid
CID 171702838
6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-6-oxohexanoic acid
CID 114518044
tert-butyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate
CID 142613690
3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoic acid
CID 171702836
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]heptanedioic acid
CID 177138583
prop-2-enyl 2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;hydrochloride
CID 91979202
prop-2-enyl N-[12-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-12-oxododecyl]carbamate
CID 11634440
(2S)-2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 10586563
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]butanoic acid
CID 171702826
5-prop-2-enyldodecanoic acid
CID 90887636
4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]-4-oxobutanoic acid
CID 10018649
prop-2-enyl (2S)-2-(hydroxyamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 46867576

Frequently Asked Questions

What is the IUPAC name of 10-[(2-methylpropan-2-yl)oxycarbonylamino]-6-prop-2-enyldecanoic acid?
The IUPAC name of 10-[(2-methylpropan-2-yl)oxycarbonylamino]-6-prop-2-enyldecanoic acid (CID 138632585) is 10-[(2-methylpropan-2-yl)oxycarbonylamino]-6-prop-2-enyldecanoic acid.
What is the SMILES notation for 10-[(2-methylpropan-2-yl)oxycarbonylamino]-6-prop-2-enyldecanoic acid?
The canonical SMILES for 10-[(2-methylpropan-2-yl)oxycarbonylamino]-6-prop-2-enyldecanoic acid is C=CCC(CCCCNC(=O)OC(C)(C)C)CCCCC(=O)O.
What is the InChIKey of 10-[(2-methylpropan-2-yl)oxycarbonylamino]-6-prop-2-enyldecanoic acid?
The InChIKey is GKYSSNHXCDJWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4/c1-5-10-15(11-6-7-13-16(20)21)12-8-9-14-19-17(22)23-18(2,3)4/h5,15H,1,6-14H2,2-4H3,(H,19,22)(H,20,21).
What are the key properties of 10-[(2-methylpropan-2-yl)oxycarbonylamino]-6-prop-2-enyldecanoic acid?
10-[(2-methylpropan-2-yl)oxycarbonylamino]-6-prop-2-enyldecanoic acid has a molecular weight of 327.47 g/mol, XLogP of 4.52, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-methylpropan-2-yl)oxycarbonylamino]-6-prop-2-enyldecanoic acid is sourced from PubChem (CID 138632585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).