tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate

C18H27N3O3 — CID 95293877

IUPACtert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C1CC1)[C@H](C)c1cccnc1
InChIInChI=1S/C18H27N3O3/c1-12(20-17(23)24-18(3,4)5)16(22)21(15-8-9-15)13(2)14-7-6-10-19-11-14/h6-7,10-13,15H,8-9H2,1-5H3,(H,20,23)/t12-,13+/m0/s1
InChIKeyDSYBCAFPDGYHCX-QWHCGFSZSA-N
MW333.43 g/mol
LogP3.05
Rot. Bonds5

About tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 95293877) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID95293877
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nametert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C1CC1)[C@H](C)c1cccnc1
InChIInChI=1S/C18H27N3O3/c1-12(20-17(23)24-18(3,4)5)16(22)21(15-8-9-15)13(2)14-7-6-10-19-11-14/h6-7,10-13,15H,8-9H2,1-5H3,(H,20,23)/t12-,13+/m0/s1
InChIKeyDSYBCAFPDGYHCX-QWHCGFSZSA-N
XLogP3.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]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

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetate
CID 26601141
tert-butyl N-[1-[cyclopropyl(pyrimidin-2-yl)amino]-1-oxopropan-2-yl]carbamate
CID 90974587
tert-butyl N-[1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1-oxopropan-2-yl]carbamate
CID 18010813
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetic acid
CID 26601142
tert-butyl N-[1-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]amino]-1-oxopropan-2-yl]carbamate
CID 18010818
tert-butyl N-[2-(1-pyridin-3-ylethylamino)cyclopentyl]carbamate
CID 107243829
tert-butyl N-[1-[[2-(benzylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-1-oxopropan-2-yl]carbamate
CID 18011954
(2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 95283248
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoic acid
CID 2761784
tert-butyl N-[1-[[2-(benzylamino)-1-(4-methylphenyl)-2-oxoethyl]-cyclopropylamino]-1-oxopropan-2-yl]carbamate
CID 18010874
tert-butyl N-[1-[cyclopropyl-[2-(2,6-dimethylanilino)-1-(3,5-dimethylphenyl)-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate
CID 18010983
ethyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoate
CID 125452807

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate (CID 95293877) is tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C1CC1)[C@H](C)c1cccnc1.
What is the InChIKey of tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is DSYBCAFPDGYHCX-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12(20-17(23)24-18(3,4)5)16(22)21(15-8-9-15)13(2)14-7-6-10-19-11-14/h6-7,10-13,15H,8-9H2,1-5H3,(H,20,23)/t12-,13+/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 333.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 95293877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).