tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate

C12H24N2O2 — CID 59535746

IUPACtert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
SMILESCCCN1CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-5-7-14-8-6-10(9-14)13-11(15)16-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)/t10-/m1/s1
InChIKeyUJVAUVIDZWVVPE-SNVBAGLBSA-N
MW228.34 g/mol
LogP2.00
Rot. Bonds3

About tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate (PubChem CID 59535746) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
PubChem CID59535746
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
SMILESCCCN1CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-5-7-14-8-6-10(9-14)13-11(15)16-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)/t10-/m1/s1
InChIKeyUJVAUVIDZWVVPE-SNVBAGLBSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66565985
tert-butyl N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 167448349
tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate
CID 75993976
ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
CID 142042736
tert-butyl N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 18426224
tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
tert-butyl N-[1-(2-ethylsulfanylethyl)piperidin-4-yl]carbamate
CID 69118169
tert-butyl N-[(3R)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]carbamate
CID 53256386
tert-butyl N-[(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamate
CID 86628130
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propylpiperidin-3-yl]acetic acid
CID 112544339
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate (CID 59535746) is tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate is CCCN1CC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate?
The InChIKey is UJVAUVIDZWVVPE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-7-14-8-6-10(9-14)13-11(15)16-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 59535746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).