(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxohexanoic acid

C15H27NO5 — CID 101047642

IUPAC(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxohexanoic acid
SMILESCC(C)CC(CC(=O)CCNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C15H27NO5/c1-10(2)8-11(13(18)19)9-12(17)6-7-16-14(20)21-15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyPJIFAOZCMKGLAB-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.61
Rot. Bonds8

About (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxohexanoic acid

(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxohexanoic acid (PubChem CID 101047642) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxohexanoic acid.

Molecular Properties

Compound Name(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxohexanoic acid
PubChem CID101047642
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxohexanoic acid
SMILESCC(C)CC(CC(=O)CCNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C15H27NO5/c1-10(2)8-11(13(18)19)9-12(17)6-7-16-14(20)21-15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyPJIFAOZCMKGLAB-UHFFFAOYSA-N
XLogP2.61
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid
CID 121437627
4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylsulfanyl]pentanoic acid
CID 23245842
tert-butyl N-(4-chloro-3-oxobutyl)carbamate
CID 104700691
8-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dioxooctanoic acid
CID 175573604
tert-butyl N-(4-amino-3-oxobutyl)carbamate
CID 96619413
(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 2761526
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 174463288
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853
(2S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 167971322
tert-butyl N-(3-hydroxypent-3-enyl)carbamate
CID 118047416
(2R)-4-methyl-2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentanoic acid
CID 129251365

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxohexanoic acid?
The IUPAC name of (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxohexanoic acid (CID 101047642) is (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxohexanoic acid.
What is the SMILES notation for (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxohexanoic acid?
The canonical SMILES for (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxohexanoic acid is CC(C)CC(CC(=O)CCNC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxohexanoic acid?
The InChIKey is PJIFAOZCMKGLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-10(2)8-11(13(18)19)9-12(17)6-7-16-14(20)21-15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,20)(H,18,19).
What are the key properties of (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxohexanoic acid?
(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxohexanoic acid has a molecular weight of 301.38 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)-4-oxohexanoic acid is sourced from PubChem (CID 101047642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).