tert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate

C15H25N3O4 — CID 129358931

IUPACtert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)C1(NC(N)=O)CC1
InChIInChI=1S/C15H25N3O4/c1-14(2,3)22-11(19)10-6-4-5-9-18(10)12(20)15(7-8-15)17-13(16)21/h10H,4-9H2,1-3H3,(H3,16,17,21)/t10-/m0/s1
InChIKeyHVRSWZFBCZTGGY-JTQLQIEISA-N
MW311.38 g/mol
LogP0.91
Rot. Bonds3

About tert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate

tert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate (PubChem CID 129358931) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate
PubChem CID129358931
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nametert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)C1(NC(N)=O)CC1
InChIInChI=1S/C15H25N3O4/c1-14(2,3)22-11(19)10-6-4-5-9-18(10)12(20)15(7-8-15)17-13(16)21/h10H,4-9H2,1-3H3,(H3,16,17,21)/t10-/m0/s1
InChIKeyHVRSWZFBCZTGGY-JTQLQIEISA-N
XLogP0.91
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate (CID 129358931) is tert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate is CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)C1(NC(N)=O)CC1.
What is the InChIKey of tert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate?
The InChIKey is HVRSWZFBCZTGGY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H25N3O4/c1-14(2,3)22-11(19)10-6-4-5-9-18(10)12(20)15(7-8-15)17-13(16)21/h10H,4-9H2,1-3H3,(H3,16,17,21)/t10-/m0/s1.
What are the key properties of tert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate?
tert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-[1-(carbamoylamino)cyclopropanecarbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 129358931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).