trans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide

C16H22N2O3 — CID 166354927

IUPACtrans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)[C@@H]1C[C@]1(N)C(=O)N[C@@H]1COc2ccccc2[C@H]1O
InChIInChI=1S/C16H22N2O3/c1-9(2)11-7-16(11,17)15(20)18-12-8-21-13-6-4-3-5-10(13)14(12)19/h3-6,9,11-12,14,19H,7-8,17H2,1-2H3,(H,18,20)/t11-,12+,14+,16+/m0/s1
InChIKeyIBSDWPGFIXTVFM-KLZCAUPSSA-N
MW290.36 g/mol
LogP0.97
Rot. Bonds3

About trans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide

trans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 166354927) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is trans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide
PubChem CID166354927
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nametrans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)[C@@H]1C[C@]1(N)C(=O)N[C@@H]1COc2ccccc2[C@H]1O
InChIInChI=1S/C16H22N2O3/c1-9(2)11-7-16(11,17)15(20)18-12-8-21-13-6-4-3-5-10(13)14(12)19/h3-6,9,11-12,14,19H,7-8,17H2,1-2H3,(H,18,20)/t11-,12+,14+,16+/m0/s1
InChIKeyIBSDWPGFIXTVFM-KLZCAUPSSA-N
XLogP0.97
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
CID 146234658
1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea
CID 166350491
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
CID 79012503
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
(1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491892
methyl 2-(2,3-dihydro-1-benzofuran-3-ylamino)butanoate
CID 113292622
(2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
CID 134521718
methyl (2S)-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanoate
CID 104523978
N-(2,3-dihydro-1-benzofuran-3-yl)propane-2-sulfonamide
CID 62066112
1-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-(2-methylpropoxy)urea
CID 97326853
1-[(1S)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-(2-methylpropoxy)urea
CID 97326852
2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide
CID 134536580

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide (CID 166354927) is trans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide is CC(C)[C@@H]1C[C@]1(N)C(=O)N[C@@H]1COc2ccccc2[C@H]1O.
What is the InChIKey of trans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is IBSDWPGFIXTVFM-KLZCAUPSSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-9(2)11-7-16(11,17)15(20)18-12-8-21-13-6-4-3-5-10(13)14(12)19/h3-6,9,11-12,14,19H,7-8,17H2,1-2H3,(H,18,20)/t11-,12+,14+,16+/m0/s1.
What are the key properties of trans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide?
trans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-amino-N-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 166354927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).