tert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate

C14H24N2O2 — CID 152877576

IUPACtert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C1=NC=CC1)C(C)(C)C
InChIInChI=1S/C14H24N2O2/c1-13(2,3)11(10-8-7-9-15-10)16-12(17)18-14(4,5)6/h7,9,11H,8H2,1-6H3,(H,16,17)/t11-/m1/s1
InChIKeyUASPWOMQCQEERB-LLVKDONJSA-N
MW252.36 g/mol
LogP3.28
Rot. Bonds2

About tert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate

tert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate (PubChem CID 152877576) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate
PubChem CID152877576
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nametert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C1=NC=CC1)C(C)(C)C
InChIInChI=1S/C14H24N2O2/c1-13(2,3)11(10-8-7-9-15-10)16-12(17)18-14(4,5)6/h7,9,11H,8H2,1-6H3,(H,16,17)/t11-/m1/s1
InChIKeyUASPWOMQCQEERB-LLVKDONJSA-N
XLogP3.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288
tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
CID 23292073
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 11367915
tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate
CID 101062005
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
CID 174039144
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
CID 10728628
2-cyclohexa-1,3-dien-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 123675890
CID 88905183
CID 88905183
dimethyl 2-methyl-2-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]propanedioate
CID 102476683

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate (CID 152877576) is tert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate is CC(C)(C)OC(=O)N[C@H](C1=NC=CC1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate?
The InChIKey is UASPWOMQCQEERB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-13(2,3)11(10-8-7-9-15-10)16-12(17)18-14(4,5)6/h7,9,11H,8H2,1-6H3,(H,16,17)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate?
tert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate has a molecular weight of 252.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2,2-dimethyl-1-(3H-pyrrol-2-yl)propyl]carbamate is sourced from PubChem (CID 152877576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).