2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid

C20H32N2O4 — CID 174469456

IUPAC2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid
SMILESCC(C)(CNC(CCCc1ccccc1)C(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H32N2O4/c1-19(2,3)26-18(25)22-20(4,5)14-21-16(17(23)24)13-9-12-15-10-7-6-8-11-15/h6-8,10-11,16,21H,9,12-14H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyJAYYBZBBTPQHJJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.36
Rot. Bonds9

About 2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid

2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid (PubChem CID 174469456) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid
PubChem CID174469456
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid
SMILESCC(C)(CNC(CCCc1ccccc1)C(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H32N2O4/c1-19(2,3)26-18(25)22-20(4,5)14-21-16(17(23)24)13-9-12-15-10-7-6-8-11-15/h6-8,10-11,16,21H,9,12-14H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyJAYYBZBBTPQHJJ-UHFFFAOYSA-N
XLogP3.36
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid with MolForge

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Related Compounds

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 2761801
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-5-phenylpentanoate
CID 171550382
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
(2S)-2-(benzylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 101104055
(2R)-2-(ethylamino)-5-phenylpentanoic acid
CID 151918023
(2R)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylcarbamoylamino]-4-phenylbutanoic acid
CID 135742479
tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate
CID 90776674
2-[(1-amino-2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 70415204
tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate
CID 10891701
(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-oxo-2-phenylmethoxyethyl)amino]hexanoic acid
CID 155064968
3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 71245585
tert-butyl N-[(2S)-1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]carbamate
CID 90371301

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid (CID 174469456) is 2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid is CC(C)(CNC(CCCc1ccccc1)C(=O)O)NC(=O)OC(C)(C)C.
What is the InChIKey of 2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid?
The InChIKey is JAYYBZBBTPQHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-19(2,3)26-18(25)22-20(4,5)14-21-16(17(23)24)13-9-12-15-10-7-6-8-11-15/h6-8,10-11,16,21H,9,12-14H2,1-5H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid?
2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid has a molecular weight of 364.49 g/mol, XLogP of 3.36, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 174469456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).