2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid

C13H25NO4 — CID 2762257

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid
SMILESCCCC(CCC)(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C13H25NO4/c1-6-8-13(9-7-2,10(15)16)14-11(17)18-12(3,4)5/h6-9H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyGMRIQSNBJUTETD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.93
Rot. Bonds6

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid (PubChem CID 2762257) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid
PubChem CID2762257
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid
SMILESCCCC(CCC)(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C13H25NO4/c1-6-8-13(9-7-2,10(15)16)14-11(17)18-12(3,4)5/h6-9H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyGMRIQSNBJUTETD-UHFFFAOYSA-N
XLogP2.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 39870673
(2S)-2-[2-(4-bromo-2-chlorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 68745941
2-(butoxycarbonylamino)-2-propylpentanoic acid
CID 87963773
(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 148575187
tert-butyl N-[(2R)-1-amino-2-methylpentan-2-yl]carbamate
CID 129411644
tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate
CID 151269852
tert-butyl N-(4-methylnonan-4-yl)carbamate
CID 130223651
tert-butyl N-(3-carbamothioylpentan-3-yl)carbamate
CID 61338393
tert-butyl N-(3-ethyl-1-hydroxypentan-3-yl)carbamate
CID 131125544
5,5-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylhexanoic acid
CID 106488336
methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 88646273
(2S)-5-(4-chlorophenyl)-2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 173074580

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid (CID 2762257) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid is CCCC(CCC)(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid?
The InChIKey is GMRIQSNBJUTETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-6-8-13(9-7-2,10(15)16)14-11(17)18-12(3,4)5/h6-9H2,1-5H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid has a molecular weight of 259.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid is sourced from PubChem (CID 2762257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).