2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid

C14H25NO5 — CID 175290344

IUPAC2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)N(C(CCC=O)C(=O)O)C(C)(C)C
InChIInChI=1S/C14H25NO5/c1-13(2,3)15(12(19)20-14(4,5)6)10(11(17)18)8-7-9-16/h9-10H,7-8H2,1-6H3,(H,17,18)
InChIKeyHCZHNCXWXSIVLI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.45
Rot. Bonds5

About 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid

2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid (PubChem CID 175290344) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid
PubChem CID175290344
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)N(C(CCC=O)C(=O)O)C(C)(C)C
InChIInChI=1S/C14H25NO5/c1-13(2,3)15(12(19)20-14(4,5)6)10(11(17)18)8-7-9-16/h9-10H,7-8H2,1-6H3,(H,17,18)
InChIKeyHCZHNCXWXSIVLI-UHFFFAOYSA-N
XLogP2.45
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxobutanoic acid
CID 54552976
methyl 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate
CID 166732577
benzyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoate
CID 58890811
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 175182168
tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate
CID 105468762
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonylamino]-5-oxopentanoate
CID 10788315
3-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 85357237
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 7010348
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylsulfonylbutanoic acid
CID 21476315
(2S)-4-bromo-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 174175672
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid
CID 137499743
3-cyclobutyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 116861122

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid?
The IUPAC name of 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid (CID 175290344) is 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid is CC(C)(C)OC(=O)N(C(CCC=O)C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid?
The InChIKey is HCZHNCXWXSIVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-13(2,3)15(12(19)20-14(4,5)6)10(11(17)18)8-7-9-16/h9-10H,7-8H2,1-6H3,(H,17,18).
What are the key properties of 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid?
2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 175290344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).