5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid

C15H29NO5 — CID 106488758

IUPAC5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid
SMILESCC(O)CCC(CNC(=O)OC(C)(C)C)(C(=O)O)C(C)C
InChIInChI=1S/C15H29NO5/c1-10(2)15(12(18)19,8-7-11(3)17)9-16-13(20)21-14(4,5)6/h10-11,17H,7-9H2,1-6H3,(H,16,20)(H,18,19)
InChIKeyCGBSVRRWZPAOAO-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.40
Rot. Bonds7

About 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid

5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid (PubChem CID 106488758) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid
PubChem CID106488758
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Name5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid
SMILESCC(O)CCC(CNC(=O)OC(C)(C)C)(C(=O)O)C(C)C
InChIInChI=1S/C15H29NO5/c1-10(2)15(12(18)19,8-7-11(3)17)9-16-13(20)21-14(4,5)6/h10-11,17H,7-9H2,1-6H3,(H,16,20)(H,18,19)
InChIKeyCGBSVRRWZPAOAO-UHFFFAOYSA-N
XLogP2.40
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylpentanoic acid
CID 106488766
3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)hexanoic acid
CID 107896046
2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106488784
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-[2-(3-hydroxybutylamino)ethyl]carbamate
CID 115628927
2-(cyclopropylmethyl)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 106490255
2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 106489825
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid
CID 106488818
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592
tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate
CID 107252614
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid?
The IUPAC name of 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid (CID 106488758) is 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid.
What is the SMILES notation for 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid?
The canonical SMILES for 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid is CC(O)CCC(CNC(=O)OC(C)(C)C)(C(=O)O)C(C)C.
What is the InChIKey of 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid?
The InChIKey is CGBSVRRWZPAOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-10(2)15(12(18)19,8-7-11(3)17)9-16-13(20)21-14(4,5)6/h10-11,17H,7-9H2,1-6H3,(H,16,20)(H,18,19).
What are the key properties of 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid?
5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid has a molecular weight of 303.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid is sourced from PubChem (CID 106488758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).