2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]pentanoic acid

C24H35NO6 — CID 54157671

IUPAC2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]pentanoic acid
SMILESCC(C)(C)OC(=O)C(N)(CCCC1(CC(=O)OCc2ccccc2)CCCC1)C(=O)O
InChIInChI=1S/C24H35NO6/c1-22(2,3)31-21(29)24(25,20(27)28)15-9-14-23(12-7-8-13-23)16-19(26)30-17-18-10-5-4-6-11-18/h4-6,10-11H,7-9,12-17,25H2,1-3H3,(H,27,28)
InChIKeyOMFSUKFJNJMEKE-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.97
Rot. Bonds10

About 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]pentanoic acid

2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]pentanoic acid (PubChem CID 54157671) has the molecular formula C24H35NO6 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]pentanoic acid.

Molecular Properties

Compound Name2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]pentanoic acid
PubChem CID54157671
Molecular FormulaC24H35NO6
Molecular Weight433.55 g/mol
Exact Mass433.25
IUPAC Name2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]pentanoic acid
SMILESCC(C)(C)OC(=O)C(N)(CCCC1(CC(=O)OCc2ccccc2)CCCC1)C(=O)O
InChIInChI=1S/C24H35NO6/c1-22(2,3)31-21(29)24(25,20(27)28)15-9-14-23(12-7-8-13-23)16-19(26)30-17-18-10-5-4-6-11-18/h4-6,10-11H,7-9,12-17,25H2,1-3H3,(H,27,28)
InChIKeyOMFSUKFJNJMEKE-UHFFFAOYSA-N
XLogP3.97
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-O-benzyl 1-O-tert-butyl 2-amino-2-(3-hydroxypropyl)propanedioate
CID 175248358
6-O-benzyl 1-O-tert-butyl (2S)-2-amino-2-hydroxyhexanedioate
CID 175248355
2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxymethyl)propanoic acid
CID 22557178
benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
CID 58560493
3-O-benzyl 1-O-tert-butyl 2-amino-2-(hydroxymethyl)propanedioate
CID 151236321
2,7-diamino-2,7-bis[(2-methylpropan-2-yl)oxycarbonyl]octanedioic acid
CID 154136395
ditert-butyl 2-amino-2-[4-(phenylmethoxycarbonylamino)butyl]propanedioate
CID 175793762
benzyl 2-[1-(dihydroxymethyl)cyclopentyl]acetate
CID 123352150
tert-butyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclohexane-1-carboxylate
CID 171057016
tert-butyl 2-[1-(2-oxo-2-phenylmethoxyethyl)cyclohexyl]-1H-pyrrole-3-carboxylate
CID 91388313
benzyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240649
2-amino-7-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxoheptanoic acid
CID 174781753

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]pentanoic acid?
The IUPAC name of 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]pentanoic acid (CID 54157671) is 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]pentanoic acid.
What is the SMILES notation for 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]pentanoic acid?
The canonical SMILES for 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]pentanoic acid is CC(C)(C)OC(=O)C(N)(CCCC1(CC(=O)OCc2ccccc2)CCCC1)C(=O)O.
What is the InChIKey of 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]pentanoic acid?
The InChIKey is OMFSUKFJNJMEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO6/c1-22(2,3)31-21(29)24(25,20(27)28)15-9-14-23(12-7-8-13-23)16-19(26)30-17-18-10-5-4-6-11-18/h4-6,10-11H,7-9,12-17,25H2,1-3H3,(H,27,28).
What are the key properties of 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]pentanoic acid?
2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]pentanoic acid has a molecular weight of 433.55 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]pentanoic acid is sourced from PubChem (CID 54157671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).