[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid

C17H26N2O4 — CID 69442567

IUPAC[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid
SMILESCC(CC(Cc1ccccc1)NC(=O)OC(C)(C)C)NC(=O)O
InChIInChI=1S/C17H26N2O4/c1-12(18-15(20)21)10-14(11-13-8-6-5-7-9-13)19-16(22)23-17(2,3)4/h5-9,12,14,18H,10-11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyYYJYKEBGCGDGAB-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.17
Rot. Bonds6

About [4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid

[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid (PubChem CID 69442567) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is [4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid
PubChem CID69442567
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid
SMILESCC(CC(Cc1ccccc1)NC(=O)OC(C)(C)C)NC(=O)O
InChIInChI=1S/C17H26N2O4/c1-12(18-15(20)21)10-14(11-13-8-6-5-7-9-13)19-16(22)23-17(2,3)4/h5-9,12,14,18H,10-11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyYYJYKEBGCGDGAB-UHFFFAOYSA-N
XLogP3.17
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 118431287
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
(4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
CID 58027482
tert-butyl N-[(2S)-4-oxo-1-phenylbutan-2-yl]carbamate
CID 10015626
tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate
CID 142063959
tert-butyl N-(4-oxo-1-phenylbutan-2-yl)carbamate
CID 14804348
tert-butyl N-[(2S)-5-(benzylamino)-4-hydroxy-1-phenylpentan-2-yl]carbamate
CID 66832875
tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
S-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] ethanethioate
CID 11077758
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid?
The IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid (CID 69442567) is [4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid.
What is the SMILES notation for [4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid?
The canonical SMILES for [4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid is CC(CC(Cc1ccccc1)NC(=O)OC(C)(C)C)NC(=O)O.
What is the InChIKey of [4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid?
The InChIKey is YYJYKEBGCGDGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12(18-15(20)21)10-14(11-13-8-6-5-7-9-13)19-16(22)23-17(2,3)4/h5-9,12,14,18H,10-11H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of [4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid?
[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid has a molecular weight of 322.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid is sourced from PubChem (CID 69442567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).