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

C14H27NO5 — CID 106488766

IUPAC5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylpentanoic acid
SMILESCC(C)C(CCCO)(CNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C14H27NO5/c1-10(2)14(11(17)18,7-6-8-16)9-15-12(19)20-13(3,4)5/h10,16H,6-9H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyIRKLYQDFKGFXMO-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.01
Rot. Bonds7

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

5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylpentanoic acid (PubChem CID 106488766) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylpentanoic acid
PubChem CID106488766
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylpentanoic acid
SMILESCC(C)C(CCCO)(CNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C14H27NO5/c1-10(2)14(11(17)18,7-6-8-16)9-15-12(19)20-13(3,4)5/h10,16H,6-9H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyIRKLYQDFKGFXMO-UHFFFAOYSA-N
XLogP2.01
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.01
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-ylhexanoic acid
CID 106488758
6-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)hexanoic acid
CID 106489184
2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106488784
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)hexanoic acid
CID 107896046
2-(cyclopropylmethyl)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 106490255
3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid
CID 106488818
tert-butyl N-[(2S)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]carbamate
CID 87458449
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
2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid
CID 89285371
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-ylpentanoic acid?
The IUPAC name of 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylpentanoic acid (CID 106488766) is 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylpentanoic acid.
What is the SMILES notation for 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylpentanoic acid?
The canonical SMILES for 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylpentanoic acid is CC(C)C(CCCO)(CNC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylpentanoic acid?
The InChIKey is IRKLYQDFKGFXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-10(2)14(11(17)18,7-6-8-16)9-15-12(19)20-13(3,4)5/h10,16H,6-9H2,1-5H3,(H,15,19)(H,17,18).
What are the key properties of 5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylpentanoic acid?
5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylpentanoic acid has a molecular weight of 289.37 g/mol, XLogP of 2.01, 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-ylpentanoic acid is sourced from PubChem (CID 106488766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).