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

C16H23NO4 — CID 71433228

IUPAC(2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid
SMILESCC(C)(C)OC(=O)[C@H](CC(N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(20)13(14(18)19)10-12(17)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10,17H2,1-3H3,(H,18,19)/t12?,13-/m1/s1
InChIKeyOTKMNTHHPCBWHH-ZGTCLIOFSA-N
MW293.36 g/mol
LogP1.99
Rot. Bonds6

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

(2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid (PubChem CID 71433228) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid
PubChem CID71433228
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid
SMILESCC(C)(C)OC(=O)[C@H](CC(N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(20)13(14(18)19)10-12(17)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10,17H2,1-3H3,(H,18,19)/t12?,13-/m1/s1
InChIKeyOTKMNTHHPCBWHH-ZGTCLIOFSA-N
XLogP1.99
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 68838007
tert-butyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 7021090
(2R)-4-amino-6-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]heptanoic acid
CID 71433229
acetic acid;tert-butyl (2S,3S)-3-amino-2-hydroxy-4-phenylbutanoate
CID 162225778
ditert-butyl 2-(2-benzyl-3-oxopropyl)propanedioate
CID 56929485
tert-butyl N-[(2R,3R,5R)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 15428321
tert-butyl (2R,3R)-2-benzyl-3-hydroxybutanoate
CID 100968642
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid
CID 56923716
tert-butyl 2-methyl-3-phenylpropanoate;propane
CID 145135005
tert-butyl 3-phenyl-2-(propan-2-ylamino)propanoate
CID 166781222
tert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate
CID 143401846
tert-butyl (2S)-3-phenyl-2-(propan-2-ylamino)propanoate;sulfane
CID 159183112

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid?
The IUPAC name of (2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid (CID 71433228) is (2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid is CC(C)(C)OC(=O)[C@H](CC(N)Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid?
The InChIKey is OTKMNTHHPCBWHH-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)13(14(18)19)10-12(17)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10,17H2,1-3H3,(H,18,19)/t12?,13-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid?
(2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid is sourced from PubChem (CID 71433228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).