(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid

C24H29NO6 — CID 66700357

IUPAC(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid
SMILESCC(C)(C)OC(=O)N[C@](C)(CCC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C24H29NO6/c1-23(2,3)31-22(29)25-24(4,21(27)28)15-14-20(26)18-10-12-19(13-11-18)30-16-17-8-6-5-7-9-17/h5-13H,14-16H2,1-4H3,(H,25,29)(H,27,28)/t24-/m1/s1
InChIKeyLZVPCFWBRVFILU-XMMPIXPASA-N
MW427.50 g/mol
LogP4.60
Rot. Bonds9

About (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid

(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid (PubChem CID 66700357) has the molecular formula C24H29NO6 and a molecular weight of 427.50 g/mol. Its IUPAC name is (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid
PubChem CID66700357
Molecular FormulaC24H29NO6
Molecular Weight427.50 g/mol
Exact Mass427.20
IUPAC Name(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid
SMILESCC(C)(C)OC(=O)N[C@](C)(CCC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C24H29NO6/c1-23(2,3)31-22(29)25-24(4,21(27)28)15-14-20(26)18-10-12-19(13-11-18)30-16-17-8-6-5-7-9-17/h5-13H,14-16H2,1-4H3,(H,25,29)(H,27,28)/t24-/m1/s1
InChIKeyLZVPCFWBRVFILU-XMMPIXPASA-N
XLogP4.60
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid with MolForge

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Related Compounds

tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoate
CID 138524303
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
CID 54527689
tert-butyl N-[(2S)-1-(tert-butylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 15517726
4-phenylmethoxybenzoic acid
CID 68896574
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylmethoxyphenyl)propanoic acid
CID 175994952
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 2756774
tert-butyl N-[(1R)-3-oxo-1-(4-phenylmethoxyphenyl)propyl]carbamate
CID 125411765
tert-butyl N-[3-amino-6-methyl-1-(4-phenylmethoxyphenyl)hept-5-en-3-yl]carbamate
CID 70163514
2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 21222063
benzyl (2R)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11833827

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid?
The IUPAC name of (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid (CID 66700357) is (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid.
What is the SMILES notation for (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid?
The canonical SMILES for (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid is CC(C)(C)OC(=O)N[C@](C)(CCC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid?
The InChIKey is LZVPCFWBRVFILU-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29NO6/c1-23(2,3)31-22(29)25-24(4,21(27)28)15-14-20(26)18-10-12-19(13-11-18)30-16-17-8-6-5-7-9-17/h5-13H,14-16H2,1-4H3,(H,25,29)(H,27,28)/t24-/m1/s1.
What are the key properties of (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid?
(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid has a molecular weight of 427.50 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoic acid is sourced from PubChem (CID 66700357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).