2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid

C14H23NO5 — CID 174593335

IUPAC2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC=O)C(C(=O)O)N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C14H23NO5/c1-9(7-8-16)11(12(17)18)15(10-5-6-10)13(19)20-14(2,3)4/h8-11H,5-7H2,1-4H3,(H,17,18)
InChIKeyZCUJUSOSPUQWRL-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.06
Rot. Bonds6

About 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid

2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 174593335) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID174593335
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC=O)C(C(=O)O)N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C14H23NO5/c1-9(7-8-16)11(12(17)18)15(10-5-6-10)13(19)20-14(2,3)4/h8-11H,5-7H2,1-4H3,(H,17,18)
InChIKeyZCUJUSOSPUQWRL-UHFFFAOYSA-N
XLogP2.06
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid (CID 174593335) is 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid is CC(CC=O)C(C(=O)O)N(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is ZCUJUSOSPUQWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-9(7-8-16)11(12(17)18)15(10-5-6-10)13(19)20-14(2,3)4/h8-11H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid?
2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 174593335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).