2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid

C18H33NO4 — CID 106490219

IUPAC2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid
SMILESCCCCCCC(CNC(=O)OC(C)(C)C)(CC1CC1)C(=O)O
InChIInChI=1S/C18H33NO4/c1-5-6-7-8-11-18(15(20)21,12-14-9-10-14)13-19-16(22)23-17(2,3)4/h14H,5-13H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyUPBYIFMICCUZQB-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.35
Rot. Bonds10

About 2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid

2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid (PubChem CID 106490219) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid
PubChem CID106490219
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Name2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid
SMILESCCCCCCC(CNC(=O)OC(C)(C)C)(CC1CC1)C(=O)O
InChIInChI=1S/C18H33NO4/c1-5-6-7-8-11-18(15(20)21,12-14-9-10-14)13-19-16(22)23-17(2,3)4/h14H,5-13H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyUPBYIFMICCUZQB-UHFFFAOYSA-N
XLogP4.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethyl)-6-methoxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]hexanoic acid
CID 106490226
2,2-bis(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106490227
2-(cyclobutylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 106488417
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(oxan-4-ylmethyl)pentanoic acid
CID 106488403
2-[[4-(2-carboxy-2-ethylhexyl)cyclohexyl]methyl]-2-ethylhexanoic acid
CID 70237933
tert-butyl N-[2-cyclopropyl-2-(heptylamino)propyl]carbamate
CID 107252058
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-methylsulfanyl-2-propylpentanoic acid
CID 106488353
5,5-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylhexanoic acid
CID 106488336
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-[2-cyclopropyl-2-(pentylamino)propyl]carbamate
CID 103790497
2-(cyclopropylmethyl)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 106490255
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid?
The IUPAC name of 2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid (CID 106490219) is 2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid.
What is the SMILES notation for 2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid?
The canonical SMILES for 2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid is CCCCCCC(CNC(=O)OC(C)(C)C)(CC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid?
The InChIKey is UPBYIFMICCUZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4/c1-5-6-7-8-11-18(15(20)21,12-14-9-10-14)13-19-16(22)23-17(2,3)4/h14H,5-13H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid?
2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid has a molecular weight of 327.47 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid is sourced from PubChem (CID 106490219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).