(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid

C16H23NO4 — CID 2755985

IUPAC(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-13(9-10-14(18)19)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyVPUKBWPBMROHJH-CYBMUJFWSA-N
MW293.36 g/mol
LogP2.99
Rot. Bonds6

About (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid

(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid (PubChem CID 2755985) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
PubChem CID2755985
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-13(9-10-14(18)19)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyVPUKBWPBMROHJH-CYBMUJFWSA-N
XLogP2.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Sacubitril
CID 9811834
Sacubitrilat
CID 10430040
2-{[(Tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid
CID 269698
N-oleoyl phenylalanine
CID 52922059
Sepiwhite
CID 10308702
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-
CID 77857
N-Palmitoyl phenylalanine
CID 181534
2-[[1-[(2-Methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 3245757
(2R)-2-{[(tert-butoxy)carbonyl]amino}-2-phenylacetic acid
CID 2755953
(2S)-2-((ethoxycarbonyl)amino)-3-phenylpropanoic acid
CID 2817957
(2S)-2-(((tert-butoxy)carbonyl)amino)-2-phenylacetic acid
CID 11010409
N-(4-Methylpentanoyl)-L-Phenylalanine
CID 28777137

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid?
The IUPAC name of (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid (CID 2755985) is (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid.
What is the SMILES notation for (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid?
The canonical SMILES for (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid is CC(C)(C)OC(=O)N[C@H](CCC(=O)O)Cc1ccccc1.
What is the InChIKey of (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid?
The InChIKey is VPUKBWPBMROHJH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-13(9-10-14(18)19)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1.
What are the key properties of (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid?
(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 2755985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).