(1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

C15H20ClN3O2 — CID 138016603

IUPAC(1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESCOc1c(Cl)cccc1CNC(=O)N1C[C@@H]2CC[C@]2(N)C1
InChIInChI=1S/C15H20ClN3O2/c1-21-13-10(3-2-4-12(13)16)7-18-14(20)19-8-11-5-6-15(11,17)9-19/h2-4,11H,5-9,17H2,1H3,(H,18,20)/t11-,15-/m0/s1
InChIKeyNGSUNOTVJMOSDB-NHYWBVRUSA-N
MW309.80 g/mol
LogP1.98
Rot. Bonds3

About (1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

(1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 138016603) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is (1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
PubChem CID138016603
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name(1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESCOc1c(Cl)cccc1CNC(=O)N1C[C@@H]2CC[C@]2(N)C1
InChIInChI=1S/C15H20ClN3O2/c1-21-13-10(3-2-4-12(13)16)7-18-14(20)19-8-11-5-6-15(11,17)9-19/h2-4,11H,5-9,17H2,1H3,(H,18,20)/t11-,15-/m0/s1
InChIKeyNGSUNOTVJMOSDB-NHYWBVRUSA-N
XLogP1.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide with MolForge

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Related Compounds

(1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016526
(1R,5S)-1-amino-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016546
1-[(3-chloro-2-methoxyphenyl)methyl]-3-(2-fluoroethyl)urea
CID 59778682
(1R,5S)-1-amino-N-[2-(3-methylpyrazin-2-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016510
(3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 131895525
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
(1R,5S)-1-amino-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016497
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119281351
1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 103293154
3-(4-chlorophenyl)-N-(naphthalen-1-ylmethyl)azepane-1-carboxamide
CID 121146736
2-[1-[(2-chlorophenyl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658478
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119281357

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of (1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (CID 138016603) is (1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for (1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for (1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is COc1c(Cl)cccc1CNC(=O)N1C[C@@H]2CC[C@]2(N)C1.
What is the InChIKey of (1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is NGSUNOTVJMOSDB-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-21-13-10(3-2-4-12(13)16)7-18-14(20)19-8-11-5-6-15(11,17)9-19/h2-4,11H,5-9,17H2,1H3,(H,18,20)/t11-,15-/m0/s1.
What are the key properties of (1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
(1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-amino-N-[(3-chloro-2-methoxyphenyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 138016603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).