tert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate

C14H23N3O4 — CID 168919712

IUPACtert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(N)=O)CC1C(=O)N1CCCC1
InChIInChI=1S/C14H23N3O4/c1-13(2,3)21-12(20)16-14(11(15)19)8-9(14)10(18)17-6-4-5-7-17/h9H,4-8H2,1-3H3,(H2,15,19)(H,16,20)
InChIKeyVRLRJOJVCYLKCB-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.38
Rot. Bonds3

About tert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate

tert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate (PubChem CID 168919712) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is tert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate
PubChem CID168919712
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nametert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(N)=O)CC1C(=O)N1CCCC1
InChIInChI=1S/C14H23N3O4/c1-13(2,3)21-12(20)16-14(11(15)19)8-9(14)10(18)17-6-4-5-7-17/h9H,4-8H2,1-3H3,(H2,15,19)(H,16,20)
InChIKeyVRLRJOJVCYLKCB-UHFFFAOYSA-N
XLogP0.38
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R,2R)-1-carbamoyl-2-methylcyclohexyl]carbamate
CID 95903186
tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate
CID 86778100
tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate
CID 130004007
1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1,2-dicarboxylic acid
CID 23182235
tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 158395553
cis-(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 57348144
1-(cyclopropanecarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
CID 171662768
[(2-methylpropan-2-yl)oxycarbonylamino] azepane-1-carboxylate
CID 175316788
tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
CID 66925793
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate
CID 59044921
1-(cyclobutanecarbonyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid
CID 107319600

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate (CID 168919712) is tert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(C(N)=O)CC1C(=O)N1CCCC1.
What is the InChIKey of tert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate?
The InChIKey is VRLRJOJVCYLKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-13(2,3)21-12(20)16-14(11(15)19)8-9(14)10(18)17-6-4-5-7-17/h9H,4-8H2,1-3H3,(H2,15,19)(H,16,20).
What are the key properties of tert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate?
tert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate has a molecular weight of 297.36 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate is sourced from PubChem (CID 168919712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).